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

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate CAS Name: 3-(3,4-dimethylphenyl)sulfonylpropanoic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate Traditional Name: 3-(3,4-dimethylphenyl)sulfonylpropionic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO5S/c1-13-6-7-17(10-14(13)2)27(24,25)9-8-19(23)26-12-18(22)21-16-5-3-4-15(20)11-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,22)