N-[4-(cyanomethyl)phenyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-[4-(cyanomethyl)phenyl]acetamide Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)CC#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)CC#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c23-14-13-17-9-11-18(12-10-17)24-22(27)16-25(19-5-4-6-20(15-19)26(28)29)32(30,31)21-7-2-1-3-8-21/h1-12,15H,13,16H2,(H,24,27)