methyl 2-[[1-(4,6-dimethoxypyrimidin-2-yl)-5-oxidanylidene-1,2,4-triazol-4-yl]sulfamoyl]benzoate

Systemtic Name: methyl 2-[[1-(4,6-dimethoxypyrimidin-2-yl)-5-oxidanylidene-1,2,4-triazol-4-yl]sulfamoyl]benzoate Openeye Name: methyl 2-[[1-(4,6-dimethoxypyrimidin-2-yl)-5-oxo-1,2,4-triazol-4-yl]sulfamoyl]benzoate CAS Name: 2-[[1-(4,6-dimethoxy-2-pyrimidinyl)-5-oxo-1,2,4-triazol-4-yl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4,6-dimethoxypyrimidin-2-yl)-5-oxo-1,2,4-triazol-4-yl]sulfamoyl]benzoate Traditional Name: 2-[[1-(4,6-dimethoxypyrimidin-2-yl)-5-keto-1,2,4-triazol-4-yl]sulfamoyl]benzoic acid methyl ester Formula: C16H16N6O7S MolecularWeight: 436.39924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N2C(=O)N(C=N2)NS(=O)(=O)C3=CC=CC=C3C(=O)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N2C(=O)N(C=N2)NS(=O)(=O)C3=CC=CC=C3C(=O)OC)OC

InChI

InChI=1S/C16H16N6O7S/c1-27-12-8-13(28-2)19-15(18-12)22-16(24)21(9-17-22)20-30(25,26)11-7-5-4-6-10(11)14(23)29-3/h4-9,20H,1-3H3