rel-N-[(3aR,4R,5R,7R,7aS)-2-[4-Cyano-3-(trifluoromethyl)phenyl]octahydro-4,7-dimethyl-1,3-dioxo-4,7-epoxy-1H-isoindol-5-yl]ethanesulfonamide

CAS Registry Number®

573738-99-5
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CAS Name

rel-N-[(3aR,4R,5R,7R,7aS)-2-[4-Cyano-3-(trifluoromethyl)phenyl]octahydro-4,7-dimethyl-1,3-dioxo-4,7-epoxy-1H-isoindol-5-yl]ethanesulfonamide

Molecular Formula

C20H20F3N3O5S

Molecular Mass

471.45

Cite this Page

rel-N-[(3aR,4R,5R,7R,7aS)-2-[4-Cyano-3-(trifluoromethyl)phenyl]octahydro-4,7-dimethyl-1,3-dioxo-4,7-epoxy-1H-isoindol-5-yl]ethanesulfonamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=573738-99-5 (retrieved 2024-05-18) (CAS RN: 573738-99-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C20H20F3N3O5S/c1-4-32(29,30)25-13-8-18(2)14-15(19(13,3)31-18)17(28)26(16(14)27)11-6-5-10(9-24)12(7-11)20(21,22)23/h5-7,13-15,25H,4,8H2,1-3H3/t13-,14-,15+,18-,19+/s2

InChIKey

InChIKey=HYNANJUKEMCYEQ-NDNZUXARNA-N

SMILES

C[C@@]12[C@@]3([C@]([C@@](C)(O1)[C@H](NS(CC)(=O)=O)C2)(C(=O)N(C3=O)C4=CC(C(F)(F)F)=C(C#N)C=C4)[H])[H]

Canonical SMILES

N#CC1=CC=C(C=C1C(F)(F)F)N2C(=O)C3C(C2=O)C4(OC3(C)CC4NS(=O)(=O)CC)C

Other Names for this Substance

  • Ethanesulfonamide, N-[(3aR,4R,5R,7R,7aS)-2-[4-cyano-3-(trifluoromethyl)phenyl]octahydro-4,7-dimethyl-1,3-dioxo-4,7-epoxy-1H-isoindol-5-yl]-, rel-
  • rel-N-[(3aR,4R,5R,7R,7aS)-2-[4-Cyano-3-(trifluoromethyl)phenyl]octahydro-4,7-dimethyl-1,3-dioxo-4,7-epoxy-1H-isoindol-5-yl]ethanesulfonamide
  • BMS 641988
  • N-((3aR*,4R*,5R*,7R*,7aS*)-2-(4-Cyano-3-(trifluoromethyl)phenyl)-4,7-dimethyl-1,3-dioxooctahydro-1H-4,7-epoxyisoindol-5-yl)ethanesulfonamide

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