2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(3-nitrophenyl)butanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(3-nitrophenyl)butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(3-nitrophenyl)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(3-nitrophenyl)butyramide Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H18ClN3O5S/c1-3-16(17(22)19-13-7-5-9-15(11-13)21(23)24)20(27(2,25)26)14-8-4-6-12(18)10-14/h4-11,16H,3H2,1-2H3,(H,19,22)