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4-Methyl-N-((1R,2R)-2-(3-(4-methylcyclohexa-1,4-dienyl)propylamino)-1,2-diphenylethyl)benzenesulfonamide
SpectraBase Compound ID 5SeniRB5TcO
InChI InChI=1S/C31H36N2O2S/c1-24-15-19-26(20-16-24)10-9-23-32-30(27-11-5-3-6-12-27)31(28-13-7-4-8-14-28)33-36(34,35)29-21-17-25(2)18-22-29/h3-8,11-15,17-18,20-22,30-33H,9-10,16,19,23H2,1-2H3/t30-,31-/m1/s1
InChIKey ZQPVYWMYRHVBIJ-FIRIVFDPSA-N
Mol Weight 500.7 g/mol
Molecular Formula C31H36N2O2S
Exact Mass 500.24975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oSavpH0N0c
Name 4-Methyl-N-((1R,2R)-2-(3-(4-methylcyclohexa-1,4-dienyl)propylamino)-1,2-diphenylethyl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H36N2O2S
InChI InChI=1S/C31H36N2O2S/c1-24-15-19-26(20-16-24)10-9-23-32-30(27-11-5-3-6-12-27)31(28-13-7-4-8-14-28)33-36(34,35)29-21-17-25(2)18-22-29/h3-8,11-15,17-18,20-22,30-33H,9-10,16,19,23H2,1-2H3/t30-,31-/m1/s1
InChIKey ZQPVYWMYRHVBIJ-FIRIVFDPSA-N
Literature Reference DOI 10.1021/ol702226j
Molecular Weight 500.701 g/mol
SMILES N(CCCC=1CC=C(C)CC1)[C@@]([C@](NS(c1ccc(cc1)C)(=O)=O)(c1ccccc1)[H])(c1ccccc1)[H]
SPLASH splash10-0006-6390020000-257eae0ff6971c19c05b
Source of Spectrum A1-9-4659/SMS15-9d
Synonyms 4-Methyl-N-((1R,2R)-2-((3-(4-methylcyclohexa-1,4-dien-1-yl)propyl)amino)-1,2-diphenylethyl)benzenesulfonamide
Wiley ID 1758773