Chem
J-GLOBAL ID：201407054000515674   Nikkaji number：J3.303.249H

1-Tosyl-3-[(phenylthio)methyl]-4-(piperidinomethyl)-1H-pyrrole

1-トシル-3-[(フェニルチオ)メチル]-4-(ピペリジノメチル)-1H-ピロール
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： C24H28N2O2S2
Molecular formula furigana： C24-H28-N2-O2-S2
Molecular weight： 440.620
InChI： InChI=1S/C24H28N2O2S2/c1-20-10-12-24(13-11-20)30(27,28)26-17-21(16-25-14-6-3-7-15-25)22(18-26)19-29-23-8-4-2-5-9-23/h2,4-5,8-13,17-18H,3,6-7,14-16,19H2,1H3
InChI key： QMCWLGITSUZVHI-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)n1cc(CSc2ccccc2)c(CN2CCCCC2)c1
Systematic name  (3)：
  • 1-トシル-3-[(フェニルチオ)メチル]-4-(ピペリジノメチル)-1H-ピロール
  • 1-{[1-(4-メチルベンゼンスルホニル)-4-[(フェニルスルファニル)メチル]-1H-ピロール-3-イル]メチル}ピペリジン
  • 1-{[1-(4-methylbenzenesulfonyl)-4-[(phenylsulfanyl)methyl]-1H-pyrrol-3-yl]methyl}piperidine
Other name (1)：
  • 1-Tosyl-3-[(phenylthio)methyl]-4-(piperidinomethyl)-1H-pyrrole
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