[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methoxy-3-(p-tolylsulfamoyl)benzoate CAS Name: 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methoxy-3-(p-tolylsulfamoyl)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC#C)OC

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC#C)OC

InChI

InChI=1S/C20H20N2O6S/c1-4-11-21-19(23)13-28-20(24)15-7-10-17(27-3)18(12-15)29(25,26)22-16-8-5-14(2)6-9-16/h1,5-10,12,22H,11,13H2,2-3H3,(H,21,23)