4-[methylsulfonyl(phenyl)amino]-N-(3-nitrophenyl)butanamide

Systemtic Name: 4-[methylsulfonyl(phenyl)amino]-N-(3-nitrophenyl)butanamide Openeye Name: 4-(N-methylsulfonylanilino)-N-(3-nitrophenyl)butanamide CAS Name: 4-(N-methylsulfonylanilino)-N-(3-nitrophenyl)butanamide IUPAC Name: 4-(N-methylsulfonylanilino)-N-(3-nitrophenyl)butanamide Traditional Name: 4-(N-mesylanilino)-N-(3-nitrophenyl)butyramide Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H19N3O5S/c1-26(24,25)19(15-8-3-2-4-9-15)12-6-11-17(21)18-14-7-5-10-16(13-14)20(22)23/h2-5,7-10,13H,6,11-12H2,1H3,(H,18,21)