Chem
J-GLOBAL ID：201407036829106692   Nikkaji number：J3.303.250A

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

1-トシル-3-[(フェニルチオ)メチル]-4-(モルホリノメチル)-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： C23H26N2O3S2
Molecular formula furigana： C23-H26-N2-O3-S2
Molecular weight： 442.590
InChI： InChI=1S/C23H26N2O3S2/c1-19-7-9-23(10-8-19)30(26,27)25-16-20(15-24-11-13-28-14-12-24)21(17-25)18-29-22-5-3-2-4-6-22/h2-10,16-17H,11-15,18H2,1H3
InChI key： NRQNTOCXVREOJS-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)n1cc(CSc2ccccc2)c(CN2CCOCC2)c1
Systematic name  (3)：
  • 1-トシル-3-[(フェニルチオ)メチル]-4-(モルホリノメチル)-1H-ピロール
  • 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}モルホリン
  • 4-{[1-(4-methylbenzenesulfonyl)-4-[(phenylsulfanyl)methyl]-1H-pyrrol-3-yl]methyl}morpholine
Other name (1)：
  • 1-Tosyl-3-[(phenylthio)methyl]-4-(morpholinomethyl)-1H-pyrrole
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