Chem
J-GLOBAL ID：201707007829231520   Nikkaji number：J3.589.278H

PT-2399

3-[[(S)-2,2-ジフルオロ-7-(ジフルオロメチルスルホニル)-1α-ヒドロキシインダン-4-イル]オキシ]-5-フルオロベンゾニトリル
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： C17H10F5NO4S
Molecular formula furigana： C17-H10-F5-N-O4-S
Molecular weight： 419.320
InChI： InChI=1S/C17H10F5NO4S/c18-9-3-8(7-23)4-10(5-9)27-12-1-2-13(28(25,26)16(19)20)14-11(12)6-17(21,22)15(14)24/h1-5,15-16,24H,6H2/t15-/m0/s1
InChI key： MXUSGDMIHGLCNC-HNNXBMFYSA-N
SMILES： O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)C(F)F
Systematic name  (3)：
  • 3-[[(S)-2,2-ジフルオロ-7-(ジフルオロメチルスルホニル)-1α-ヒドロキシインダン-4-イル]オキシ]-5-フルオロベンゾニトリル
  • 3-{[(1S)-7-ジフルオロメタンスルホニル-2,2-ジフルオロ-1-ヒドロキシ-2,3-ジヒドロ-1H-インデン-4-イル]オキシ}-5-フルオロベンゾニトリル
  • 3-{[(1S)-7-difluoromethanesulfonyl-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile
Other name (2)：
  • 3-[[(S)-2,2-Difluoro-7-(difluoromethylsulfonyl)-1α-hydroxyindan-4-yl]oxy]-5-fluorobenzonitrile
  • PT-2399
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