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N-[4-Amino-3-butyl-5-cyano-6-(trichloromethyl)pyridin-2-yl]benzenesulfonamide
SpectraBase Compound ID AOpf5PzFj4a
InChI InChI=1S/C17H17Cl3N4O2S/c1-2-3-9-12-14(22)13(10-21)15(17(18,19)20)23-16(12)24-27(25,26)11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3,(H3,22,23,24)
InChIKey LIFXJDSDNHVSNU-UHFFFAOYSA-N
Mol Weight 447.77 g/mol
Molecular Formula C17H17Cl3N4O2S
Exact Mass 446.01378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgWRbjBDOey
Name N-[4-Amino-3-butyl-5-cyano-6-(trichloromethyl)pyridin-2-yl]benzenesulfonamide
Appearance Pale cream powder
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Formula C17H17Cl3N4O2S
InChI InChI=1S/C17H17Cl3N4O2S/c1-2-3-9-12-14(22)13(10-21)15(17(18,19)20)23-16(12)24-27(25,26)11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3,(H3,22,23,24)
InChIKey LIFXJDSDNHVSNU-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3668
Molecular Weight 447.768 g/mol
SMILES Nc1c(c(nc(c1C#N)C(Cl)(Cl)Cl)NS(=O)(c1ccccc1)=O)CCCC
SPLASH splash10-0006-1902000000-58f4ed293a882b4c90c8
Source of Spectrum Y-56-2608-6f
Wiley ID 1859666