2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzenesulfonate

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzenesulfonate Openeye Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzenesulfonate CAS Name: 2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzenesulfonate IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzenesulfonate Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]besylate Formula: C13H13N4O8S2- MolecularWeight: 417.39432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)[O-])OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)[O-])OC

InChI

InChI=1S/C13H14N4O8S2/c1-24-10-7-11(25-2)15-12(14-10)16-13(18)17-26(19,20)8-5-3-4-6-9(8)27(21,22)23/h3-7H,1-2H3,(H,21,22,23)(H2,14,15,16,17,18)/p-1