[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C19H21NO6S/c1-25-16-9-6-14(7-10-16)8-11-19(22)26-13-18(21)20-15-4-3-5-17(12-15)27(2,23)24/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,20,21)