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

Systemtic Name: 4-[(4-methylphenyl)-methylsulfonyl-amino]-N-(3-nitrophenyl)butanamide Openeye Name: 4-(4-methyl-N-methylsulfonyl-anilino)-N-(3-nitrophenyl)butanamide CAS Name: 4-(4-methyl-N-methylsulfonylanilino)-N-(3-nitrophenyl)butanamide IUPAC Name: 4-(4-methyl-N-methylsulfonylanilino)-N-(3-nitrophenyl)butanamide Traditional Name: 4-(N-mesyl-4-methyl-anilino)-N-(3-nitrophenyl)butyramide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C18H21N3O5S/c1-14-8-10-16(11-9-14)20(27(2,25)26)12-4-7-18(22)19-15-5-3-6-17(13-15)21(23)24/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,19,22)