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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(4-acetamidophenyl)sulfonylpropanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 3-(4-acetamidophenyl)sulfonylpropanoate CAS Name: 3-(4-acetamidophenyl)sulfonylpropanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(4-acetamidophenyl)sulfonylpropanoate Traditional Name: 3-(4-acetamidophenyl)sulfonylpropionic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-14-4-5-17(12-15(14)2)20(24)13-28-21(25)10-11-29(26,27)19-8-6-18(7-9-19)22-16(3)23/h4-9,12H,10-11,13H2,1-3H3,(H,22,23)