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

Systemtic Name: methyl 2-[[3-chloranyl-4-(dimethylamino)-5-oxidanylidene-1,2,4-triazol-1-yl]carbonylsulfamoyl]benzoate Openeye Name: methyl 2-[[3-chloro-4-(dimethylamino)-5-oxo-1,2,4-triazole-1-carbonyl]sulfamoyl]benzoate CAS Name: 2-[[[3-chloro-4-(dimethylamino)-5-oxo-1,2,4-triazol-1-yl]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-chloro-4-(dimethylamino)-5-oxo-1,2,4-triazole-1-carbonyl]sulfamoyl]benzoate Traditional Name: 2-[[3-chloro-4-(dimethylamino)-5-keto-1,2,4-triazole-1-carbonyl]sulfamoyl]benzoic acid methyl ester Formula: C13H14ClN5O6S MolecularWeight: 403.79816

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N1C(=NN(C1=O)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)Cl

Isomeric SMILES

CN(C)N1C(=NN(C1=O)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)Cl

InChI

InChI=1S/C13H14ClN5O6S/c1-17(2)19-11(14)15-18(13(19)22)12(21)16-26(23,24)9-7-5-4-6-8(9)10(20)25-3/h4-7H,1-3H3,(H,16,21)