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

Systemtic Name: 5-(bromomethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 5-(bromomethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 5-(bromomethyl)-2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 5-(bromomethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 5-(bromomethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Formula: C15H15BrN4O7S MolecularWeight: 475.2712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN4O7S/c1-26-11-6-12(27-2)18-14(17-11)19-15(23)20-28(24,25)10-4-3-8(7-16)5-9(10)13(21)22/h3-6H,7H2,1-2H3,(H,21,22)(H2,17,18,19,20,23)