[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO7S/c1-26-16-9-14(10-17(12-16)27-2)7-8-20(23)28-13-19(22)21-15-5-4-6-18(11-15)29(3,24)25/h4-6,9-12H,7-8,13H2,1-3H3,(H,21,22)