[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C20H24N2O8S MolecularWeight: 452.47816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C20H24N2O8S/c1-27-16-9-13(10-17(28-2)20(16)29-3)7-8-19(24)30-12-18(23)22-14-5-4-6-15(11-14)31(21,25)26/h4-6,9-11H,7-8,12H2,1-3H3,(H,22,23)(H2,21,25,26)