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N,N-Dimethyl-2-phenylthio-3-(p-toluenesulfonyl)aminophenylpropionamide isomer
SpectraBase Compound ID BDV8v8bPG9h
InChI InChI=1S/C24H26N2O3S2/c1-18-14-16-21(17-15-18)31(28,29)25-22(19-10-6-4-7-11-19)23(24(27)26(2)3)30-20-12-8-5-9-13-20/h4-17,22-23,25H,1-3H3/t22-,23+/m1/s1
InChIKey VTIVTSIUHHREIX-PKTZIBPZSA-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 5ZNcy36xRsc
Name N,N-Dimethyl-2-phenylthio-3-(p-toluenesulfonyl)aminophenylpropionamide isomer
Alternate Name(s) (2S,3R)-N,N-dimethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-2-(phenylthio)propanamide (2S,3R)-N,N-dimethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-2-phenylsulfanylpropanamide (2S,3R)-N,N-dimethyl-3-phenyl-2-phenylsulfanyl-3-(p-tolylsulfonylamino)propanamide (2S,3R)-N,N-dimethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-2-phenylsulfanyl-propanamide
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Formula C24H26N2O3S2
InChI InChI=1S/C24H26N2O3S2/c1-18-14-16-21(17-15-18)31(28,29)25-22(19-10-6-4-7-11-19)23(24(27)26(2)3)30-20-12-8-5-9-13-20/h4-17,22-23,25H,1-3H3/t22-,23+/m1/s1
InChIKey VTIVTSIUHHREIX-PKTZIBPZSA-N
Molecular Weight 454.603 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]([C@@](C(N(C)C)=O)(Sc1ccccc1)[H])(c1ccccc1)[H]
SPLASH splash10-0005-6900000000-0e367b57536cd82c2ca6
Source of Spectrum F-67-8103-16
Wiley ID 1571147