4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(1-phenylethyl)butanamide

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(1-phenylethyl)butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(1-phenylethyl)butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-(1-phenylethyl)butyramide Formula: C20H25ClN2O3S MolecularWeight: 408.9421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O3S/c1-15-11-12-18(21)14-19(15)23(27(3,25)26)13-7-10-20(24)22-16(2)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,16H,7,10,13H2,1-3H3,(H,22,24)