N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C21H26N4O7S2 MolecularWeight: 510.58374

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O7S2/c1-33(29,30)24(18-7-6-8-19(15-18)25(27)28)16-21(26)22-17-9-11-20(12-10-17)34(31,32)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14,16H2,1H3,(H,22,26)