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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methyl-3-sulfamoyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methyl-3-sulfamoyl-benzoate CAS Name: 4-methyl-3-sulfamoylbenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methyl-3-sulfamoylbenzoate Traditional Name: 4-methyl-3-sulfamoyl-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5S/c1-3-6-15-12(16)8-20-13(17)10-5-4-9(2)11(7-10)21(14,18)19/h1,4-5,7H,6,8H2,2H3,(H,15,16)(H2,14,18,19)