[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-acetamidophenyl)sulfonylpropanoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-acetamidophenyl)sulfonylpropanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 3-(4-acetamidophenyl)sulfonylpropanoate CAS Name: 3-(4-acetamidophenyl)sulfonylpropanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 3-(4-acetamidophenyl)sulfonylpropanoate Traditional Name: 3-(4-acetamidophenyl)sulfonylpropionic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H22N2O6S/c1-14-4-3-5-17(12-14)22-19(24)13-28-20(25)10-11-29(26,27)18-8-6-16(7-9-18)21-15(2)23/h3-9,12H,10-11,13H2,1-2H3,(H,21,23)(H,22,24)