Chem
J-GLOBAL ID:201807003684210245   Nikkaji number:J3.726.728G

2-(3-Acetoxypropyl)-3-(acetyltosylamino)-5-heptyl-1H-pyrrole

2-(3-アセトキシプロピル)-3-(アセチルトシルアミノ)-5-ヘプチル-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: C25H36N2O5S
Molecular formula furigana: C25-H36-N2-O5-S
Molecular weight: 476.630
InChI: InChI=1S/C25H36N2O5S/c1-5-6-7-8-9-11-22-18-25(24(26-22)12-10-17-32-21(4)29)27(20(3)28)33(30,31)23-15-13-19(2)14-16-23/h13-16,18,26H,5-12,17H2,1-4H3
InChI key: VLSQNOVAQVXLQT-UHFFFAOYSA-N
SMILES: CCCCCCCc1cc(N(C(=O)C)S(=O)(=O)c2ccc(C)cc2)c(CCCOC(=O)C)[nH]1
Systematic name  (3):
  • 2-(3-アセトキシプロピル)-3-(アセチルトシルアミノ)-5-ヘプチル-1H-ピロール
  • 3-{5-ヘプチル-3-[N-(4-メチルベンゼンスルホニル)アセトアミド]-1H-ピロール-2-イル}プロピル アセタート
  • 3-{5-heptyl-3-[N-(4-methylbenzenesulfonyl)acetamido]-1H-pyrrol-2-yl}propyl acetate
Other name (1):
  • 2-(3-Acetoxypropyl)-3-(acetyltosylamino)-5-heptyl-1H-pyrrole
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