2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(4-phenylbutan-2-yl)butanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(4-phenylbutan-2-yl)butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(1-methyl-3-phenyl-propyl)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(4-phenylbutan-2-yl)butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(4-phenylbutan-2-yl)butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(1-methyl-3-phenyl-propyl)butyramide Formula: C21H27ClN2O3S MolecularWeight: 422.96868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(C)CCC1=CC=CC=C1)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC(C)CCC1=CC=CC=C1)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H27ClN2O3S/c1-4-20(24(28(3,26)27)19-12-8-11-18(22)15-19)21(25)23-16(2)13-14-17-9-6-5-7-10-17/h5-12,15-16,20H,4,13-14H2,1-3H3,(H,23,25)