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sys-N,N-Diethyl-2-methylsulfanyl-3-phenyl-3-(toluene-4-sulfonamido)propionamide
SpectraBase Compound ID 3rvQmD0gXEa
InChI InChI=1S/C21H28N2O3S2/c1-5-23(6-2)21(24)20(27-4)19(17-10-8-7-9-11-17)22-28(25,26)18-14-12-16(3)13-15-18/h7-15,19-20,22H,5-6H2,1-4H3/t19-,20+/m1/s1
InChIKey ZIKXDLRDXQUHNV-UXHICEINSA-N
Mol Weight 420.59 g/mol
Molecular Formula C21H28N2O3S2
Exact Mass 420.154135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4R7u3szBykR
Name sys-N,N-Diethyl-2-methylsulfanyl-3-phenyl-3-(toluene-4-sulfonamido)propionamide
Alternate Name(s) (2S,3R)-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-2-(methylthio)-3-phenylpropanamide (2S,3R)-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-2-methylsulfanyl-3-phenylpropanamide (2S,3R)-N,N-diethyl-2-methylsulfanyl-3-phenyl-3-(p-tolylsulfonylamino)propanamide (2S,3R)-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-2-methylsulfanyl-3-phenyl-propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O3S2
InChI InChI=1S/C21H28N2O3S2/c1-5-23(6-2)21(24)20(27-4)19(17-10-8-7-9-11-17)22-28(25,26)18-14-12-16(3)13-15-18/h7-15,19-20,22H,5-6H2,1-4H3/t19-,20+/m1/s1
InChIKey ZIKXDLRDXQUHNV-UXHICEINSA-N
Molecular Weight 420.586 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]([C@@](C(N(CC)CC)=O)(SC)[H])(c1ccccc1)[H]
SPLASH splash10-0ik9-0907100000-b4d74452be8562743ffd
Source of Spectrum K-2001-3165-13
Wiley ID 1580095