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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)C3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)C3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C20H18N4O7S/c1-30-16-11-17(31-2)22-19(21-16)23-20(27)24-32(28,29)15-10-13(8-9-14(15)18(25)26)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,25,26)(H2,21,22,23,24,27)