Chem
J-GLOBAL ID：201707019196848938   Nikkaji number：J3.539.417F

(1S)-2β-(4-Methylphenylsulfonylmethyl)cyclopropane-1α-carbonitrile

(1S)-2β-(4-メチルフェニルスルホニルメチル)シクロプロパン-1α-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： C12H13NO2S
Molecular formula furigana： C12-H13-N-O2-S
Molecular weight： 235.300
InChI： InChI=1S/C12H13NO2S/c1-9-2-4-12(5-3-9)16(14,15)8-11-6-10(11)7-13/h2-5,10-11H,6,8H2,1H3/t10-,11-/m1/s1
InChI key： RWRLHEFXIAZRBA-GHMZBOCLSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)C[C@H]1C[C@@H]1C#N
Systematic name  (3)：
  • (1S)-2β-(4-メチルフェニルスルホニルメチル)シクロプロパン-1α-カルボニトリル
  • (1S,2S)-2-[(4-メチルベンゼンスルホニル)メチル]シクロプロパン-1-カルボニトリル
  • (1S,2S)-2-[(4-methylbenzenesulfonyl)methyl]cyclopropane-1-carbonitrile
Other name (1)：
  • (1S)-2β-(4-Methylphenylsulfonylmethyl)cyclopropane-1α-carbonitrile
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