2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methylsulfonylamino)benzoic acid

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methylsulfonylamino)benzoic acid Openeye Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamido)benzoic acid CAS Name: 2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-4-(methanesulfonamido)benzoic acid IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamido)benzoic acid Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamido)benzoic acid Formula: C15H17N5O9S2 MolecularWeight: 475.45358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)O)OC

InChI

InChI=1S/C15H17N5O9S2/c1-28-11-7-12(29-2)17-14(16-11)18-15(23)20-31(26,27)10-6-8(19-30(3,24)25)4-5-9(10)13(21)22/h4-7,19H,1-3H3,(H,21,22)(H2,16,17,18,20,23)