[4-(phenylsulfonyl)phenyl]methyl 4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [4-(phenylsulfonyl)phenyl]methyl 4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [4-(benzenesulfonyl)phenyl]methyl 4-(3-chloro-4-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(3-chloro-4-methylanilino)-4-oxobutanoic acid [4-(benzenesulfonyl)phenyl]methyl ester IUPAC Name: [4-(benzenesulfonyl)phenyl]methyl 4-(3-chloro-4-methylanilino)-4-oxobutanoate Traditional Name: 4-(3-chloro-4-methyl-anilino)-4-keto-butyric acid (4-besylbenzyl) ester Formula: C24H22ClNO5S MolecularWeight: 471.95318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C24H22ClNO5S/c1-17-7-10-19(15-22(17)25)26-23(27)13-14-24(28)31-16-18-8-11-21(12-9-18)32(29,30)20-5-3-2-4-6-20/h2-12,15H,13-14,16H2,1H3,(H,26,27)