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N,N-Dimethyl-2-n-butylthio-3-(p-toluenesulfonyl)aminophenylpropionamide isomer
SpectraBase Compound ID 9BXWrIqKb6o
InChI InChI=1S/C22H30N2O3S2/c1-5-6-16-28-21(22(25)24(3)4)20(18-10-8-7-9-11-18)23-29(26,27)19-14-12-17(2)13-15-19/h7-15,20-21,23H,5-6,16H2,1-4H3/t20-,21+/m1/s1
InChIKey LXMQHRPOMMJRLJ-RTWAWAEBSA-N
Mol Weight 434.61 g/mol
Molecular Formula C22H30N2O3S2
Exact Mass 434.169785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dU3qSXki9O
Name N,N-Dimethyl-2-n-butylthio-3-(p-toluenesulfonyl)aminophenylpropionamide isomer
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Formula C22H30N2O3S2
InChI InChI=1S/C22H30N2O3S2/c1-5-6-16-28-21(22(25)24(3)4)20(18-10-8-7-9-11-18)23-29(26,27)19-14-12-17(2)13-15-19/h7-15,20-21,23H,5-6,16H2,1-4H3/t20-,21+/m1/s1
InChIKey LXMQHRPOMMJRLJ-RTWAWAEBSA-N
Molecular Weight 434.613 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]([C@@](C(N(C)C)=O)(SCCCC)[H])(c1ccccc1)[H]
SPLASH splash10-004l-6900000000-585b4271baae4754df8e
Source of Spectrum F-67-8103-16
Synonyms (2S,3R)-2-(butylthio)-N,N-dimethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (2S,3R)-2-butylsulfanyl-N,N-dimethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (2S,3R)-2-butylsulfanyl-N,N-dimethyl-3-phenyl-3-(p-tolylsulfonylamino)propanamide (2S,3R)-2-butylsulfanyl-N,N-dimethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanamide
Wiley ID 1571149