Chem
J-GLOBAL ID:201407092147414244
Nikkaji number:J3.303.251J
1-Tosyl-3-[(phenylthio)methyl]-4-[(4-methylpiperazino)methyl]-1H-pyrrole
1-トシル-3-[(フェニルチオ)メチル]-4-[(4-メチルピペラジノ)メチル]-1H-ピロール
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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:
C24 H29 N3 O2 S2
Molecular formula furigana:
C24-H29-N3-O2-S2
Molecular weight:
455.640
InChI:
InChI=1S/C24H29N3O2S2/c1-20-8-10-24(11-9-20)31(28,29)27-17-21(16-26-14-12-25(2)13-15-26)22(18-27)19-30-23-6-4-3-5-7-23/h3-11,17-18H,12-16,19H2,1-2H3
InChI key:
XFRDNJMMOYQODM-UHFFFAOYSA-N
SMILES:
CN1CCN(Cc2cn(cc2CSc2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1
Systematic name (3):
1-トシル-3-[(フェニルチオ)メチル]-4-[(4-メチルピペラジノ)メチル]-1H-ピロール
1-メチル-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-methyl-4-{[1-(4-methylbenzenesulfonyl)-4-[(phenylsulfanyl)methyl]-1H-pyrrol-3-yl]methyl}piperazine
Other name (1):
1-Tosyl-3-[(phenylthio)methyl]-4-[(4-methylpiperazino)methyl]-1H-pyrrole
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