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(3S,3aS,6aR)-exo-2-[2'-(4''-Chlorophenylsulphonamido)ethyl]-3-(2-phenylethenyl)-5-methylpyrrolo[3,4-d]isoxazolidine-4,6-dione

View entire compound with spectra: 2 MS (GC)

(3S,3aS,6aR)-exo-2-[2'-(4''-Chlorophenylsulphonamido)ethyl]-3-(2-phenylethenyl)-5-methylpyrrolo[3,4-d]isoxazolidine-4,6-dione
SpectraBase Compound ID 12d0dNafhJw
InChI InChI=1S/C22H22ClN3O5S/c1-25-21(27)19-18(12-7-15-5-3-2-4-6-15)26(31-20(19)22(25)28)14-13-24-32(29,30)17-10-8-16(23)9-11-17/h2-12,18-20,24H,13-14H2,1H3/b12-7+/t18-,19+,20-/m1/s1
InChIKey HNSOTNMQEDPONK-JILLTSJRSA-N
Mol Weight 475.95 g/mol
Molecular Formula C22H22ClN3O5S
Exact Mass 475.09687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2wsczDbuNi
Name (3S,3aS,6aR)-exo-2-[2'-(4''-Chlorophenylsulphonamido)ethyl]-3-(2-phenylethenyl)-5-methylpyrrolo[3,4-d]isoxazolidine-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22ClN3O5S
InChI InChI=1S/C22H22ClN3O5S/c1-25-21(27)19-18(12-7-15-5-3-2-4-6-15)26(31-20(19)22(25)28)14-13-24-32(29,30)17-10-8-16(23)9-11-17/h2-12,18-20,24H,13-14H2,1H3/b12-7+/t18-,19+,20-/m1/s1
InChIKey HNSOTNMQEDPONK-JILLTSJRSA-N
Molecular Weight 475.947 g/mol
SMILES N(S(c1ccc(cc1)Cl)(=O)=O)CCN1O[C@@]2([C@@](C(=O)N(C2=O)C)([C@]1(\C=C\c1ccccc1)[H])[H])[H]
SPLASH splash10-03dl-0900000000-0e6313f95fde08ef8505
Source of Spectrum KC-57-7960-19
Synonyms exo-2-[2'-(4''-Chlorophenylsulphonamido)ethyl]-3-(2-phenylethenyl)-5-methylpyrrolo[3,4-d]pyrrolidine-4,6-dione N-(2-{(3R,3aS,6aR)-5-methyl-4,6-dioxo-3-[(E)-2-phenylethenyl]hexahydro-2H-pyrrolo[3,4-d]isoxazol-2-yl}ethyl)-4-chlorobenzenesulfonamide
Wiley ID 1625759