2-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[[4-methoxy-6-(trifluoromethyl)-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Formula: C14H11F3N4O6S MolecularWeight: 420.32055

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C(F)(F)F)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=NC(=NC(=C1)C(F)(F)F)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H11F3N4O6S/c1-27-10-6-9(14(15,16)17)18-12(19-10)20-13(24)21-28(25,26)8-5-3-2-4-7(8)11(22)23/h2-6H,1H3,(H,22,23)(H2,18,19,20,21,24)