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2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid methyl ester
SpectraBase Compound ID C7pujBUep09
InChI InChI=1S/C18H13F3N4O5S2/c1-30-15(26)10-5-2-3-7-13(10)32(28,29)25-17(27)24-16-22-11(12-6-4-8-31-12)9-14(23-16)18(19,20)21/h2-9H,1H3,(H2,22,23,24,25,27)
InChIKey PXTCPMHSTHJHBQ-UHFFFAOYSA-N
Mol Weight 486.44 g/mol
Molecular Formula C18H13F3N4O5S2
Exact Mass 486.027946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFo2eKzo4Xk
Name 2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid methyl ester
Alternate Name(s) 2-[[oxo-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]amino]methyl]sulfamoyl]benzoic acid methyl ester Methyl 2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate Methyl 2-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate
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Formula C18H13F3N4O5S2
InChI InChI=1S/C18H13F3N4O5S2/c1-30-15(26)10-5-2-3-7-13(10)32(28,29)25-17(27)24-16-22-11(12-6-4-8-31-12)9-14(23-16)18(19,20)21/h2-9H,1H3,(H2,22,23,24,25,27)
InChIKey PXTCPMHSTHJHBQ-UHFFFAOYSA-N
Molecular Weight 486.440 g/mol
SMILES N(S(=O)(=O)c1ccccc1C(=O)OC)C(Nc1nc(C(F)(F)F)cc(-c2cccs2)n1)=O
SPLASH splash10-0fba-9540000000-ebe818c7de2b62d7e913
Wiley ID 1444833