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(4S,5S)-2-[1-Methylthio-3-(N-benzenesulfonyl-N-methylamino)propyl]-4-methoxymethyl-5-phenyl-1,3-oxazoline
SpectraBase Compound ID 7evL90UQlm
InChI InChI=1S/C22H28N2O4S2/c1-24(30(25,26)18-12-8-5-9-13-18)15-14-20(29-3)22-23-19(16-27-2)21(28-22)17-10-6-4-7-11-17/h4-13,19-21H,14-16H2,1-3H3/t19-,20?,21-/m0/s1
InChIKey JCKJZMPXRRFZBC-YSTUSHMSSA-N
Mol Weight 448.6 g/mol
Molecular Formula C22H28N2O4S2
Exact Mass 448.14905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7p6fw5ZRI4h
Name (4S,5S)-2-[1-Methylthio-3-(N-benzenesulfonyl-N-methylamino)propyl]-4-methoxymethyl-5-phenyl-1,3-oxazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O4S2
InChI InChI=1S/C22H28N2O4S2/c1-24(30(25,26)18-12-8-5-9-13-18)15-14-20(29-3)22-23-19(16-27-2)21(28-22)17-10-6-4-7-11-17/h4-13,19-21H,14-16H2,1-3H3/t19-,20?,21-/m0/s1
InChIKey JCKJZMPXRRFZBC-YSTUSHMSSA-N
Molecular Weight 448.596 g/mol
SMILES C(N(S(=O)(=O)c1ccccc1)C)CC(C1=N[C@](COC)([H])[C@@](O1)(c1ccccc1)[H])SC
SPLASH splash10-004m-9300000000-5a1c5f688f06533db5a2
Source of Spectrum QC-8-2439-5
Synonyms (4S,5S)-2-[(1R)-1-Methylthio-3-(N-benzenesulfonyl-N-methylamino)propyl]-4-methoxymethyl-5-phenyl-1,3-oxazoline N-[3-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-(methylsulfanyl)propyl]-N-methylbenzenesulfonamide
Wiley ID 870041