methyl 2-[[4,5-bis(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[[4,5-bis(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[[4,5-bis(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[4,5-bis(trifluoromethyl)-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4,5-bis(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate Traditional Name: 2-[[4,5-bis(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C15H10F6N4O5S MolecularWeight: 472.319119

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC=C(C(=N2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC=C(C(=N2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H10F6N4O5S/c1-30-11(26)7-4-2-3-5-9(7)31(28,29)25-13(27)24-12-22-6-8(14(16,17)18)10(23-12)15(19,20)21/h2-6H,1H3,(H2,22,23,24,25,27)