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

Systemtic Name: methyl 2-[(3-chloranyl-4-cyclopropyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate Openeye Name: methyl 2-[(3-chloro-4-cyclopropyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoate CAS Name: 2-[[(3-chloro-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-4-cyclopropyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoate Traditional Name: 2-[(3-chloro-4-cyclopropyl-5-keto-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoic acid methyl ester Formula: C14H13ClN4O6S MolecularWeight: 400.79422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)Cl)C3CC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)Cl)C3CC3

InChI

InChI=1S/C14H13ClN4O6S/c1-25-11(20)9-4-2-3-5-10(9)26(23,24)17-13(21)19-14(22)18(8-6-7-8)12(15)16-19/h2-5,8H,6-7H2,1H3,(H,17,21)