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(4S,5S)-2-[1-Methylthio-3-(N-benzenesulfonyl-N-methylamino)propyl]-4-methyl-5-phenyl-1,3-oxazoline
SpectraBase Compound ID 7Wc4m4uNDNK
InChI InChI=1S/C21H26N2O3S2/c1-16-20(17-10-6-4-7-11-17)26-21(22-16)19(27-3)14-15-23(2)28(24,25)18-12-8-5-9-13-18/h4-13,16,19-20H,14-15H2,1-3H3/t16-,19?,20+/m0/s1
InChIKey XNJAHXPCXPISRN-OOFVQCGSSA-N
Mol Weight 418.57 g/mol
Molecular Formula C21H26N2O3S2
Exact Mass 418.138485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CUa0E1Skn4
Name (4S,5S)-2-[1-Methylthio-3-(N-benzenesulfonyl-N-methylamino)propyl]-4-methyl-5-phenyl-1,3-oxazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O3S2
InChI InChI=1S/C21H26N2O3S2/c1-16-20(17-10-6-4-7-11-17)26-21(22-16)19(27-3)14-15-23(2)28(24,25)18-12-8-5-9-13-18/h4-13,16,19-20H,14-15H2,1-3H3/t16-,19?,20+/m0/s1
InChIKey XNJAHXPCXPISRN-OOFVQCGSSA-N
Molecular Weight 418.570 g/mol
SMILES C(N(S(=O)(=O)c1ccccc1)C)CC(C1=N[C@](C)([H])[C@@](O1)(c1ccccc1)[H])SC
SPLASH splash10-002f-9400000000-58fc87d82d65cd214437
Source of Spectrum QC-8-2439-5
Synonyms (4S,5S)-2-[(1S)-1-Methylthio-3-(N-benzenesulfonyl-N-methylamino)propyl]-4-methyl-5-phenyl-1,3-oxazoline N-methyl-N-[3-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-(methylsulfanyl)propyl]benzenesulfonamide
Wiley ID 870042