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

Systemtic Name: 4-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(3-nitrophenyl)butanamide Openeye Name: 4-(4-chloro-N-methylsulfonyl-anilino)-N-(3-nitrophenyl)butanamide CAS Name: 4-(4-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)butanamide IUPAC Name: 4-(4-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)butanamide Traditional Name: 4-(4-chloro-N-mesyl-anilino)-N-(3-nitrophenyl)butyramide Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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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=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O5S/c1-27(25,26)20(15-9-7-13(18)8-10-15)11-3-6-17(22)19-14-4-2-5-16(12-14)21(23)24/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,19,22)