[2-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-[4-(methanesulfonamido)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(methanesulfonamido)phenyl]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-keto-2-[4-(methanesulfonamido)phenyl]ethyl] ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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