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Benzenesulfonamide, 4-methyl-N-[4-[[(4-methylphenyl)sulfonyl]amino]butyl]-N-[3-(10-oxo-1, 4-dithia-9-azaspiro[4.16]heneicos-9-yl)propyl]-
SpectraBase Compound ID 5cAo7BOK3Gj
InChI InChI=1S/C39H61N3O5S4/c1-34-17-21-36(22-18-34)50(44,45)40-27-12-13-30-42(51(46,47)37-23-19-35(2)20-24-37)31-15-29-41-28-14-26-39(48-32-33-49-39)25-11-9-7-5-3-4-6-8-10-16-38(41)43/h17-24,40H,3-16,25-33H2,1-2H3
InChIKey WQIURISCANLVJI-UHFFFAOYSA-N
Mol Weight 780.2 g/mol
Molecular Formula C39H61N3O5S4
Exact Mass 779.349407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LeihjJWm8
Name Benzenesulfonamide, 4-methyl-N-[4-[[(4-methylphenyl)sulfonyl]amino]butyl]-N-[3-(10-oxo-1, 4-dithia-9-azaspiro[4.16]heneicos-9-yl)propyl]-
CAS Registry Number 91652-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H61N3O5S4
InChI InChI=1S/C39H61N3O5S4/c1-34-17-21-36(22-18-34)50(44,45)40-27-12-13-30-42(51(46,47)37-23-19-35(2)20-24-37)31-15-29-41-28-14-26-39(48-32-33-49-39)25-11-9-7-5-3-4-6-8-10-16-38(41)43/h17-24,40H,3-16,25-33H2,1-2H3
InChIKey WQIURISCANLVJI-UHFFFAOYSA-N
Molecular Weight 780.173 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)CCCCN(S(c1ccc(cc1)C)(=O)=O)CCCN1C(=O)CCCCCCCCCCCC2(CCC1)SCCS2
SPLASH splash10-05gi-9250000000-82c07692212a5013d769
Source of Spectrum H-67-2182-0
Synonyms 1,4-Dithia-9-azaspiro[4.16]heneicosane, benzenesulfonamide deriv. 13,13-(ethylenedithio)-N-[4-tosyl-8-(tosylamino)-4-azaoctyl]-16-hexadecanlactam 4-Methyl-N-(4-{[(4-methylphenyl)sulfonyl]amino}butyl)-N-[3-(10-oxo-1,4-dithia-9-azaspiro[4.16]henicos-9-yl)propyl]benzenesulfonamide
Wiley ID 1416878