Chem
J-GLOBAL ID：200907070448344248   Nikkaji number：J1.616.049K

(3S)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-3-phenyl-4,4-dimethyl-1-pentanone

(3S)-1-[2-(p-トリルスルフィニル)-1H-ピロール-1-イル]-3-フェニル-4,4-ジメチル-1-ペンタノン
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： C24H27NO2S
Molecular formula furigana： C24-H27-N-O2-S
Molecular weight： 393.550
InChI： InChI=1S/C24H27NO2S/c1-18-12-14-20(15-13-18)28(27)23-11-8-16-25(23)22(26)17-21(24(2,3)4)19-9-6-5-7-10-19/h5-16,21H,17H2,1-4H3/t21-,28?/m1/s1
InChI key： DSAFYXMSPMORKJ-IHKRANBOSA-N
SMILES： Cc1ccc(cc1)S(=O)c1cccn1C(=O)C[C@H](c1ccccc1)C(C)(C)C
Systematic name  (3)：
  • (3S)-1-[2-(p-トリルスルフィニル)-1H-ピロール-1-イル]-3-フェニル-4,4-ジメチル-1-ペンタノン
  • (3S)-4,4-ジメチル-1-[2-(4-メチルベンゼンスルフィニル)-1H-ピロール-1-イル]-3-フェニルペンタン-1-オン
  • (3S)-4,4-dimethyl-1-[2-(4-methylbenzenesulfinyl)-1H-pyrrol-1-yl]-3-phenylpentan-1-one
Other name (1)：
  • (3S)-1-[2-(p-Tolylsulfinyl)-1H-pyrrole-1-yl]-3-phenyl-4,4-dimethyl-1-pentanone
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