2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid Formula: C20H18N4O7S MolecularWeight: 458.44452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)OC

InChI

InChI=1S/C20H18N4O7S/c1-30-17-11-16(22-20(23-17)31-2)24-32(28,29)13-9-7-12(8-10-13)21-18(25)14-5-3-4-6-15(14)19(26)27/h3-11H,1-2H3,(H,21,25)(H,26,27)(H,22,23,24)