4-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(2-methylphenyl)butanamide

Systemtic Name: 4-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(2-methylphenyl)butanamide Openeye Name: 4-(4-chloro-N-methylsulfonyl-anilino)-N-(o-tolyl)butanamide CAS Name: 4-(4-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)butanamide IUPAC Name: 4-(4-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)butanamide Traditional Name: 4-(4-chloro-N-mesyl-anilino)-N-(o-tolyl)butyramide Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCCN(C2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCCN(C2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

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