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N-[4-[2-cyanoethyl(p-tolylsulfonyl)amino]butyl]-4-methyl-benzenesulfonamide
SpectraBase Compound ID FiJvagZETi
InChI InChI=1S/C21H27N3O4S2/c1-18-6-10-20(11-7-18)29(25,26)23-15-3-4-16-24(17-5-14-22)30(27,28)21-12-8-19(2)9-13-21/h6-13,23H,3-5,15-17H2,1-2H3
InChIKey XZRVKKJEQJYILW-UHFFFAOYSA-N
Mol Weight 449.58 g/mol
Molecular Formula C21H27N3O4S2
Exact Mass 449.144299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5r1AbXqvX2
Name N-[4-[2-cyanoethyl(p-tolylsulfonyl)amino]butyl]-4-methyl-benzenesulfonamide
CAS Registry Number 96624-91-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3O4S2
InChI InChI=1S/C21H27N3O4S2/c1-18-6-10-20(11-7-18)29(25,26)23-15-3-4-16-24(17-5-14-22)30(27,28)21-12-8-19(2)9-13-21/h6-13,23H,3-5,15-17H2,1-2H3
InChIKey XZRVKKJEQJYILW-UHFFFAOYSA-N
Molecular Weight 449.584 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)CCCCN(S(c1ccc(cc1)C)(=O)=O)CCC#N
SPLASH splash10-0596-9450000000-bea420e408b75fe32cd6
Source of Spectrum H-67-2181-0
Synonyms N-[4-[2-cyanoethyl(tosyl)amino]butyl]-4-methyl-benzenesulfonamide N-[4-[2-cyanoethyl-(4-methylphenyl)sulfonyl-amino]butyl]-4-methyl-benzenesulfonamide
Wiley ID 1387414