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

Systemtic Name: 4-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(4-methylphenyl)butanamide Openeye Name: 4-(3-chloro-N-methylsulfonyl-anilino)-N-(p-tolyl)butanamide CAS Name: 4-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)butanamide IUPAC Name: 4-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)butanamide Traditional Name: 4-(3-chloro-N-mesyl-anilino)-N-(p-tolyl)butyramide Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCCN(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCCN(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H21ClN2O3S/c1-14-8-10-16(11-9-14)20-18(22)7-4-12-21(25(2,23)24)17-6-3-5-15(19)13-17/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,20,22)