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N-{2-[(R)-5-Benzenesulfonyl-3-((S)-styryl)-isoxazolidin-2-yl]-ethyl}-4-chloro-benzenesulfonamide
SpectraBase Compound ID 9FLtOsT0IK8
InChI InChI=1S/C25H25ClN2O5S2/c26-21-12-15-24(16-13-21)35(31,32)27-17-18-28-22(14-11-20-7-3-1-4-8-20)19-25(33-28)34(29,30)23-9-5-2-6-10-23/h1-16,22,25,27H,17-19H2/b14-11+/t22-,25-/m1/s1
InChIKey QTXAALFYNLCXAX-XPBGLENRSA-N
Mol Weight 533.06 g/mol
Molecular Formula C25H25ClN2O5S2
Exact Mass 532.089342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cw4SFZkhXcI
Name N-{2-[(R)-5-Benzenesulfonyl-3-((S)-styryl)-isoxazolidin-2-yl]-ethyl}-4-chloro-benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25ClN2O5S2
InChI InChI=1S/C25H25ClN2O5S2/c26-21-12-15-24(16-13-21)35(31,32)27-17-18-28-22(14-11-20-7-3-1-4-8-20)19-25(33-28)34(29,30)23-9-5-2-6-10-23/h1-16,22,25,27H,17-19H2/b14-11+/t22-,25-/m1/s1
InChIKey QTXAALFYNLCXAX-XPBGLENRSA-N
Molecular Weight 533.057 g/mol
SMILES N(S(c1ccc(cc1)Cl)(=O)=O)CCN1O[C@](S(=O)(=O)c2ccccc2)(C[C@]1(\C=C\c1ccccc1)[H])[H]
SPLASH splash10-004i-5900000000-bdd577af3b47d68c61fe
Source of Spectrum KC-57-7961-26
Synonyms 2-[2'-(4-Chlorophenylsulfonylamido)ethyl]-3-(2-phenylethenyl)-5-(phenylsulfonyl)oxazolidine isomer 4-Chloro-N-{2-[(3S,5R)-3-[(E)-2-phenylethenyl]-5-(phenylsulfonyl)isoxazolidinyl]ethyl}benzenesulfonamide
Wiley ID 1625755