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N-(4-Amino-5-cyano-3-propyl-6-(trichloromethyl)pyridin-2-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID IAYjxQSTV3b
InChI InChI=1S/C17H17Cl3N4O2S/c1-3-4-12-14(22)13(9-21)15(17(18,19)20)23-16(12)24-27(25,26)11-7-5-10(2)6-8-11/h5-8H,3-4H2,1-2H3,(H3,22,23,24)
InChIKey SQRJFQBSYMXQPZ-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 K0PCaOCKmxg
Name N-(4-Amino-5-cyano-3-propyl-6-(trichloromethyl)pyridin-2-yl)-4-methylbenzenesulfonamide
Appearance Cream powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17Cl3N4O2S
InChI InChI=1S/C17H17Cl3N4O2S/c1-3-4-12-14(22)13(9-21)15(17(18,19)20)23-16(12)24-27(25,26)11-7-5-10(2)6-8-11/h5-8H,3-4H2,1-2H3,(H3,22,23,24)
InChIKey SQRJFQBSYMXQPZ-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)(c1ccc(cc1)C)=O)CCC
SPLASH splash10-0pbc-5923100000-398a9d0d3bf125c706b6
Source of Spectrum Y-56-2609-6h
Wiley ID 1859668