Chem
J-GLOBAL ID：200907034962395670   Nikkaji number：J2.293.598D

N′,N′-Dibenzyl-N-(1-tosyl-3-methyl-1H-pyrrolo[2,3-b]pyridine-4-yl)-2,6-difluorobenzene-1,4-diamine

N′,N′-ジベンジル-N-(1-トシル-3-メチル-1H-ピロロ[2,3-b]ピリジン-4-イル)-2,6-ジフルオロベンゼン-1,4-ジアミン
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： C35H30F2N4O2S
Molecular formula furigana： C35-H30-F2-N4-O2-S
Molecular weight： 608.710
InChI： InChI=1S/C35H30F2N4O2S/c1-24-13-15-29(16-14-24)44(42,43)41-21-25(2)33-32(17-18-38-35(33)41)39-34-30(36)19-28(20-31(34)37)40(22-26-9-5-3-6-10-26)23-27-11-7-4-8-12-27/h3-21H,22-23H2,1-2H3,(H,38,39)
InChI key： MMZVBXAOPOLAKU-UHFFFAOYSA-N
SMILES： Cc1cn(c2nccc(Nc3c(F)cc(cc3F)N(Cc3ccccc3)Cc3ccccc3)c12)S(=O)(=O)c1ccc(C)cc1
Systematic name  (3)：
  • N′,N′-ジベンジル-N-(1-トシル-3-メチル-1H-ピロロ[2,3-b]ピリジン-4-イル)-2,6-ジフルオロベンゼン-1,4-ジアミン
  • N1,N1-ジベンジル-3,5-ジフルオロ-N4-[3-メチル-1-(4-メチルベンゼンスルホニル)-1H-ピロロ[2,3-b]ピリジン-4-イル]ベンゼン-1,4-ジアミン
  • N1,N1-dibenzyl-3,5-difluoro-N4-[3-methyl-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzene-1,4-diamine
Other name (1)：
  • N′,N′-Dibenzyl-N-(1-tosyl-3-methyl-1H-pyrrolo[2,3-b]pyridine-4-yl)-2,6-difluorobenzene-1,4-diamine
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