Chem
J-GLOBAL ID:200907017309717970   Nikkaji number:J2.170.208K

1-[1-(Trifluoromesyl)-1,4,7,7aβ-tetrahydro-4α,7α-ethano-3aH-indole-3aβ-yl]ethanone

1-[1-(トリフルオロメシル)-1,4,7,7aβ-テトラヒドロ-4α,7α-エタノ-3aH-インドール-3aβ-イル]エタノン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C13H14F3NO3S
Molecular formula furigana: C13-H14-F3-N-O3-S
Molecular weight: 321.310
InChI: InChI=1S/C13H14F3NO3S/c1-8(18)12-6-7-17(21(19,20)13(14,15)16)11(12)9-2-4-10(12)5-3-9/h2,4,6-7,9-11H,3,5H2,1H3/t9-,10+,11+,12+/m1/s1
InChI key: ASSZVDOTOISJTI-RHYQMDGZSA-N
SMILES: CC(=O)[C@]12C=CN([C@H]1[C@H]1CC[C@@H]2C=C1)S(=O)(=O)C(F)(F)F
Systematic name  (4):
  • 1-[1-(トリフルオロメシル)-1,4,7,7aβ-テトラヒドロ-4α,7α-エタノ-3aH-インドール-3aβ-イル]エタノン
  • (3aR)-1-(トリフルオロメチルスルホニル)-3aβ-アセチル-4α,7α-エタノ-3a,4,7,7aβ-テトラヒドロ-1H-インドール
  • 1-[(1S,2S,6R,7R)-3-トリフルオロメタンスルホニル-3-アザトリシクロ[5.2.2.02,6]ウンデカ-4,8-ジエン-6-イル]エタン-1-オン
  • 1-[(1S,2S,6R,7R)-3-trifluoromethanesulfonyl-3-azatricyclo[5.2.2.02,6]undeca-4,8-dien-6-yl]ethan-1-one
Other name (2):
  • 1-[1-(Trifluoromesyl)-1,4,7,7aβ-tetrahydro-4α,7α-ethano-3aH-indole-3aβ-yl]ethanone
  • (3aR)-1-(Trifluoromethylsulfonyl)-3aβ-acetyl-4α,7α-ethano-3a,4,7,7aβ-tetrahydro-1H-indole
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