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4-Chloro-N-[2-((3aS,6aR)-5-methyl-4,6-dioxo-3-thiophen-2-yl-hexahydro-pyrrolo[3,4-d]isoxazol-2-yl)-ethyl]-benzenesulfonamide

View entire compound with spectra: 1 MS (GC)

4-Chloro-N-[2-((3aS,6aR)-5-methyl-4,6-dioxo-3-thiophen-2-yl-hexahydro-pyrrolo[3,4-d]isoxazol-2-yl)-ethyl]-benzenesulfonamide
SpectraBase Compound ID 6LGARXrnSId
InChI InChI=1S/C18H18ClN3O5S2/c1-21-17(23)14-15(13-3-2-10-28-13)22(27-16(14)18(21)24)9-8-20-29(25,26)12-6-4-11(19)5-7-12/h2-7,10,14-16,20H,8-9H2,1H3/t14-,15?,16+/m0/s1
InChIKey IXSOFCYGLPNFRM-DLDKDUQYSA-N
Mol Weight 455.93 g/mol
Molecular Formula C18H18ClN3O5S2
Exact Mass 455.037641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5laqeUGxfvp
Name 4-Chloro-N-[2-((3aS,6aR)-5-methyl-4,6-dioxo-3-thiophen-2-yl-hexahydro-pyrrolo[3,4-d]isoxazol-2-yl)-ethyl]-benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClN3O5S2
InChI InChI=1S/C18H18ClN3O5S2/c1-21-17(23)14-15(13-3-2-10-28-13)22(27-16(14)18(21)24)9-8-20-29(25,26)12-6-4-11(19)5-7-12/h2-7,10,14-16,20H,8-9H2,1H3/t14-,15?,16+/m0/s1
InChIKey IXSOFCYGLPNFRM-DLDKDUQYSA-N
Molecular Weight 455.931 g/mol
SMILES N(S(c1ccc(cc1)Cl)(=O)=O)CCN1O[C@@]2([C@@](C(=O)N(C2=O)C)(C1c1sccc1)[H])[H]
SPLASH splash10-03k9-0910000000-5ededd93569f664d26f5
Source of Spectrum KC-57-7962-29
Synonyms exo-2-[2'-(4'-Chlorophenylsulphonamido)ethyl]-3-(2-thienyl)-5-methylpyrrolo[3,4-d]oxazolidine-4,6-dione N-{2-[(3aS,6aR)-5-methyl-4,6-dioxo-3-(2-thienyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-2-yl]ethyl}-4-chlorobenzenesulfonamide
Wiley ID 1625752