CAS No.: 123653-11-2 — N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide (NS-398抑制剂)

1. Primary Information

English name:	N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide
CAS No.:	123653-11-2
Molecular formula:	C₁₃H₁₈N₂O₅S
Molecular weight:	314.36 g/mol
SMILES:	CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2
Structural class:
Other identifiers:	N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide NS 398 NS-398 NS398

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	≥98%(HPLC)	144	RT	in stock	-
Kehua Intelligence	25mg	≥98%(HPLC)	400	RT	in stock	-
Kehua Intelligence	100mg	≥98%(HPLC)	1280	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 39 40 0 0 0 0 0 0 0999 V2000 -2.0481 3.0853 0.2130 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9457 0.4995 0.5562 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9285 4.4206 -0.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3528 2.5034 0.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7088 -4.0866 -0.2935 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7388 -4.1624 0.6722 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 2.0215 -0.7149 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6581 -3.5263 0.1023 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1693 0.0360 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8511 1.1758 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0635 -0.5189 1.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 0.7556 -1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4276 -0.9394 0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 0.1987 -0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2005 -0.1156 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2034 0.6149 -0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3453 -1.4848 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3627 -0.0298 -0.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5046 -2.1294 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5133 -1.4019 -0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1523 3.0836 1.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9877 -0.7684 -0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 2.0441 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 1.5109 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -1.3704 1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1901 0.2397 1.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7055 1.6138 -1.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0817 -0.0055 -2.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3068 -1.8012 -0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -1.2643 1.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0504 -0.1572 -0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3611 1.0027 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4441 -2.0341 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1518 0.5201 -1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 2.3254 -0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4285 -1.8712 -1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1835 2.0838 2.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1248 3.4014 1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6407 3.7918 2.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 16 1 0 0 0 0 7 35 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M CHG 2 5 -1 8 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide

4.2 InChI

InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)