[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methyl-5-(m-tolylsulfamoyl)benzoate CAS Name: 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 2-methyl-5-(m-tolylsulfamoyl)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(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)NCC#C

Isomeric SMILES

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

InChI

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