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Ethyl 2-butyramido-2-[4-(4,6-dimethyl-2-pyrimidinylsulfamoyl)anilino]-3,3,3-trifluoropropionate
SpectraBase Compound ID 6AWho3xqKcf
InChI InChI=1S/C21H26F3N5O5S/c1-5-7-17(30)28-20(21(22,23)24,18(31)34-6-2)27-15-8-10-16(11-9-15)35(32,33)29-19-25-13(3)12-14(4)26-19/h8-12,27H,5-7H2,1-4H3,(H,28,30)(H,25,26,29)
InChIKey QTMNUZQFEQGWIG-UHFFFAOYSA-N
Mol Weight 517.52 g/mol
Molecular Formula C21H26F3N5O5S
Exact Mass 517.160675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tv3Ir2aemJ
Name Ethyl 2-butyramido-2-[4-(4,6-dimethyl-2-pyrimidinylsulfamoyl)anilino]-3,3,3-trifluoropropionate
Alternate Name(s) 2-Butyramido-2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-3,3,3-trifluoro-propionic acid ethyl ester 2-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-3,3,3-trifluoro-2-(1-oxobutylamino)propanoic acid ethyl ester Ethyl 2-(butanoylamino)-2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-3,3,3-trifluoro-propanoate Ethyl 2-(butanoylamino)-2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-3,3,3-tris(fluoranyl)propanoate Ethyl 2-(butyrylamino)-2-(4-([(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl)anilino)-3,3,3-trifluoropropanoate
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Formula C21H26F3N5O5S
InChI InChI=1S/C21H26F3N5O5S/c1-5-7-17(30)28-20(21(22,23)24,18(31)34-6-2)27-15-8-10-16(11-9-15)35(32,33)29-19-25-13(3)12-14(4)26-19/h8-12,27H,5-7H2,1-4H3,(H,28,30)(H,25,26,29)
InChIKey QTMNUZQFEQGWIG-UHFFFAOYSA-N
Molecular Weight 517.524 g/mol
SMILES N(c1ccc(S(=O)(=O)Nc2nc(cc(n2)C)C)cc1)C(C(=O)OCC)(C(F)(F)F)NC(=O)CCC
SPLASH splash10-0006-9110000000-6e2bdbd5427e9cafaeff
Wiley ID 1469179