Chem
J-GLOBAL ID：201407042055993801   Nikkaji number：J3.303.252H

N,N-Dimethyl-4-[[1-tosyl-4-[(phenylthio)methyl]-1H-pyrrole-3-yl]methyl]piperazine-1-ethanamine

N,N-ジメチル-4-[[1-トシル-4-[(フェニルチオ)メチル]-1H-ピロール-3-イル]メチル]ピペラジン-1-エタンアミン
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： C27H36N4O2S2
Molecular formula furigana： C27-H36-N4-O2-S2
Molecular weight： 512.730
InChI： InChI=1S/C27H36N4O2S2/c1-23-9-11-27(12-10-23)35(32,33)31-20-24(25(21-31)22-34-26-7-5-4-6-8-26)19-30-17-15-29(16-18-30)14-13-28(2)3/h4-12,20-21H,13-19,22H2,1-3H3
InChI key： GAKJWCYBUORHER-UHFFFAOYSA-N
SMILES： CN(C)CCN1CCN(Cc2cn(cc2CSc2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1
Systematic name  (3)：
  • N,N-ジメチル-4-[[1-トシル-4-[(フェニルチオ)メチル]-1H-ピロール-3-イル]メチル]ピペラジン-1-エタンアミン
  • ジメチル[2-(4-{[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}ピペラジン-1-イル)エチル]アミン
  • dimethyl[2-(4-{[1-(4-methylbenzenesulfonyl)-4-[(phenylsulfanyl)methyl]-1H-pyrrol-3-yl]methyl}piperazin-1-yl)ethyl]amine
Other name (1)：
  • N,N-Dimethyl-4-[[1-tosyl-4-[(phenylthio)methyl]-1H-pyrrole-3-yl]methyl]piperazine-1-ethanamine
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