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N,N-Dimethyl-2-phenylthio-3-(p-toluenesulfonyl)aminophenylpropionamide
SpectraBase Compound ID CVeRczIkbjJ
InChI InChI=1S/C24H26N2O3S2/c1-18-12-15-21(16-13-18)31(28,29)25-22-11-7-8-19(14-17-23(27)26(2)3)24(22)30-20-9-5-4-6-10-20/h4-13,15-16,25H,14,17H2,1-3H3
InChIKey XTUFKQPKDLZQHI-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C24H26N2O3S2
Exact Mass 454.138485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BOFfwMPPPt
Name N,N-Dimethyl-2-phenylthio-3-(p-toluenesulfonyl)aminophenylpropionamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N2O3S2
InChI InChI=1S/C24H26N2O3S2/c1-18-12-15-21(16-13-18)31(28,29)25-22-11-7-8-19(14-17-23(27)26(2)3)24(22)30-20-9-5-4-6-10-20/h4-13,15-16,25H,14,17H2,1-3H3
InChIKey XTUFKQPKDLZQHI-UHFFFAOYSA-N
Molecular Weight 454.603 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1c(Sc2ccccc2)c(CCC(N(C)C)=O)ccc1
SPLASH splash10-0002-6900000000-6d35c27dfb6dd065c28f
Source of Spectrum F-67-8103-15
Synonyms N,N-dimethyl-3-[3-{[(4-methylphenyl)sulfonyl]amino}-2-(phenylsulfanyl)phenyl]propanamide
Wiley ID 1571148