Chem
J-GLOBAL ID:200907026995217006   Nikkaji number:J448.035J

(1S)-1β-(Trifluoromethylsulfonyl)-6α-(4-methoxyphenyl)-3,4-dimethyl-3-cyclohexene-1-carbonitrile

(1S)-1β-(トリフルオロメチルスルホニル)-6α-(4-メトキシフェニル)-3,4-ジメチル-3-シクロヘキセン-1-カルボニトリル
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: C17H18F3NO3S
Molecular formula furigana: C17-H18-F3-N-O3-S
Molecular weight: 373.390
InChI: InChI=1S/C17H18F3NO3S/c1-11-8-15(13-4-6-14(24-3)7-5-13)16(10-21,9-12(11)2)25(22,23)17(18,19)20/h4-7,15H,8-9H2,1-3H3/t15-,16-/m1/s1
InChI key: AWJBNDNDLTZEME-HZPDHXFCSA-N
SMILES: COc1ccc(cc1)[C@H]1CC(=C(C)C[C@]1(C#N)S(=O)(=O)C(F)(F)F)C
Systematic name  (3):
  • (1S)-1β-(トリフルオロメチルスルホニル)-6α-(4-メトキシフェニル)-3,4-ジメチル-3-シクロヘキセン-1-カルボニトリル
  • (1S,6R)-6-(4-メトキシフェニル)-3,4-ジメチル-1-トリフルオロメタンスルホニルシクロヘキサ-3-エン-1-カルボニトリル
  • (1S,6R)-6-(4-methoxyphenyl)-3,4-dimethyl-1-trifluoromethanesulfonylcyclohex-3-ene-1-carbonitrile
Other name (1):
  • (1S)-1β-(Trifluoromethylsulfonyl)-6α-(4-methoxyphenyl)-3,4-dimethyl-3-cyclohexene-1-carbonitrile
Thsaurus map:

Return to Previous Page