ethyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate

Systemtic Name: ethyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate Openeye Name: ethyl 2-[(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoate CAS Name: 2-[[(4-methyl-5-oxo-3-propoxy-1,2,4-triazol-1-yl)-oxomethyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoate Traditional Name: 2-[(5-keto-4-methyl-3-propoxy-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoic acid ethyl ester Formula: C16H20N4O7S MolecularWeight: 412.4176

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OCC

Isomeric SMILES

CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OCC

InChI

InChI=1S/C16H20N4O7S/c1-4-10-27-15-17-20(16(23)19(15)3)14(22)18-28(24,25)12-9-7-6-8-11(12)13(21)26-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,22)