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

Systemtic Name: 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoic acid Openeye Name: 2-[(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoic acid CAS Name: 2-[[(4-methyl-5-oxo-3-propoxy-1,2,4-triazol-1-yl)-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoic acid Traditional Name: 2-[(5-keto-4-methyl-3-propoxy-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoic acid Formula: C14H16N4O7S MolecularWeight: 384.36444

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O7S/c1-3-8-25-13-15-18(14(22)17(13)2)12(21)16-26(23,24)10-7-5-4-6-9(10)11(19)20/h4-7H,3,8H2,1-2H3,(H,16,21)(H,19,20)