[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C21H22N2O8S/c1-5-9-22-32(26,27)16-8-6-7-14(10-16)21(25)31-13-19(24)23-15-11-17(28-2)20(30-4)18(12-15)29-3/h1,6-8,10-12,22H,9,13H2,2-4H3,(H,23,24)