2-[[4-fluoranyl-6-(trifluoromethyloxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzenesulfonic acid

Systemtic Name: 2-[[4-fluoranyl-6-(trifluoromethyloxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzenesulfonic acid Openeye Name: 2-[[4-fluoro-6-(trifluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzenesulfonic acid CAS Name: 2-[[[[4-fluoro-6-(trifluoromethoxy)-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzenesulfonic acid IUPAC Name: 2-[[4-fluoro-6-(trifluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzenesulfonic acid Traditional Name: 2-[[4-fluoro-6-(trifluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]besylic acid Formula: C12H8F4N4O7S2 MolecularWeight: 460.338133

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)F)OC(F)(F)F)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)F)OC(F)(F)F)S(=O)(=O)O

InChI

InChI=1S/C12H8F4N4O7S2/c13-8-5-9(27-12(14,15)16)18-10(17-8)19-11(21)20-28(22,23)6-3-1-2-4-7(6)29(24,25)26/h1-5H,(H,24,25,26)(H2,17,18,19,20,21)