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

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-acetamidophenyl)sulfonylpropanoate Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl] 3-(4-acetamidophenyl)sulfonylpropanoate CAS Name: 3-(4-acetamidophenyl)sulfonylpropanoic acid [2-(4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl] 3-(4-acetamidophenyl)sulfonylpropanoate Traditional Name: 3-(4-acetamidophenyl)sulfonylpropionic acid [2-(4-chloroanilino)-2-keto-ethyl] ester Formula: C19H19ClN2O6S MolecularWeight: 438.88196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H19ClN2O6S/c1-13(23)21-15-6-8-17(9-7-15)29(26,27)11-10-19(25)28-12-18(24)22-16-4-2-14(20)3-5-16/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24)