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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6S/c1-33(31,32)25(17-9-8-10-18(15-17)26(29)30)16-21(27)23-20-12-5-4-11-19(20)22(28)24-13-6-2-3-7-14-24/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,23,27)