Chem
J-GLOBAL ID：201207009210546262   Nikkaji number：J3.078.750A

1-[8-[Chloro(p-tolylsulfinyl)methyl]-1,4-dioxaspiro[4.5]decane-8-yl]cyclopentanecarbonitrile

1-[8-[クロロ(p-トリルスルフィニル)メチル]-1,4-ジオキサスピロ[4.5]デカン-8-イル]シクロペンタンカルボニトリル
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： C22H28ClNO3S
Molecular formula furigana： C22-H28-CL-N-O3-S
Molecular weight： 421.980
InChI： InChI=1S/C22H28ClNO3S/c1-17-4-6-18(7-5-17)28(25)19(23)21(20(16-24)8-2-3-9-20)10-12-22(13-11-21)26-14-15-27-22/h4-7,19H,2-3,8-15H2,1H3
InChI key： PNFSWDOOCAFPOM-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)C(Cl)C1(CCC2(CC1)OCCO2)C1(CCCC1)C#N
Systematic name  (3)：
  • 1-[8-[クロロ(p-トリルスルフィニル)メチル]-1,4-ジオキサスピロ[4.5]デカン-8-イル]シクロペンタンカルボニトリル
  • 1-{8-[クロロ(4-メチルベンゼンスルフィニル)メチル]-1,4-ジオキサスピロ[4.5]デカン-8-イル}シクロペンタン-1-カルボニトリル
  • 1-{8-[chloro(4-methylbenzenesulfinyl)methyl]-1,4-dioxaspiro[4.5]decan-8-yl}cyclopentane-1-carbonitrile
Other name (1)：
  • 1-[8-[Chloro(p-tolylsulfinyl)methyl]-1,4-dioxaspiro[4.5]decane-8-yl]cyclopentanecarbonitrile
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