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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-[methyl(p-tolyl)sulfamoyl]benzoate CAS Name: 3-[methyl-(4-methylphenyl)sulfamoyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 3-[methyl(p-tolyl)sulfamoyl]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C20H20N2O5S/c1-4-12-21-19(23)14-27-20(24)16-6-5-7-18(13-16)28(25,26)22(3)17-10-8-15(2)9-11-17/h1,5-11,13H,12,14H2,2-3H3,(H,21,23)