[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H23ClN2O5S/c1-13(2)19(23-29(26,27)17-9-7-14(3)8-10-17)20(25)28-12-18(24)22-16-6-4-5-15(21)11-16/h4-11,13,19,23H,12H2,1-3H3,(H,22,24)