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N-(2-Pyrimidinyl)-4-[2,2,2-trifluoro-1-isovaleramido-1-(trifluoromethyl)ethylamino]benzenesulfonamide
SpectraBase Compound ID FXRn1DEUE3Y
InChI InChI=1S/C18H19F6N5O3S/c1-11(2)10-14(30)28-16(17(19,20)21,18(22,23)24)27-12-4-6-13(7-5-12)33(31,32)29-15-25-8-3-9-26-15/h3-9,11,27H,10H2,1-2H3,(H,28,30)(H,25,26,29)
InChIKey CPAKZZASGNMFCD-UHFFFAOYSA-N
Mol Weight 499.43 g/mol
Molecular Formula C18H19F6N5O3S
Exact Mass 499.11128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvI10LUCpCa
Name N-(2-PYRIMIDINYL)-4-[2,2,2-TRIFLUORO-1-ISOVALERAMIDO-1-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H19F6N5O3S
InChI InChI=1S/C18H19F6N5O3S/c1-11(2)10-14(30)28-16(17(19,20)21,18(22,23)24)27-12-4-6-13(7-5-12)33(31,32)29-15-25-8-3-9-26-15/h3-9,11,27H,10H2,1-2H3,(H,28,30)(H,25,26,29)
InChIKey CPAKZZASGNMFCD-UHFFFAOYSA-N
Molecular Weight 499.1109
SMILES N(S(c1ccc(NC(NC(CC(C)C)=O)(C(F)(F)F)C(F)(F)F)cc1)(=O)=O)c1ncccn1
SPLASH splash10-053f-9201000000-eb210ff541ac3fc53b23
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany