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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

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