Chem
J-GLOBAL ID:200907018317569412   Nikkaji number:J302.436I

2-Butyl-4-chloro-1-[4-[2-(trifluoromethylsulfonylamino)-3-methylbenzoylamino]benzyl]-1H-imidazole-5-acetic acid methyl ester

2-ブチル-4-クロロ-1-[4-[2-(トリフルオロメチルスルホニルアミノ)-3-メチルベンゾイルアミノ]ベンジル]-1H-イミダゾール-5-酢酸メチル
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: C26H28ClF3N4O5S
Molecular formula furigana: C26-H28-CL-F3-N4-O5-S
Molecular weight: 601.040
InChI: InChI=1S/C26H28ClF3N4O5S/c1-4-5-9-21-32-24(27)20(14-22(35)39-3)34(21)15-17-10-12-18(13-11-17)31-25(36)19-8-6-7-16(2)23(19)33-40(37,38)26(28,29)30/h6-8,10-13,33H,4-5,9,14-15H2,1-3H3,(H,31,36)
InChI key: AUCKDTPPQMKIGG-UHFFFAOYSA-N
SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cccc(C)c2NS(=O)(=O)C(F)(F)F)cc1
Systematic name  (3):
  • 2-ブチル-4-クロロ-1-[4-[2-(トリフルオロメチルスルホニルアミノ)-3-メチルベンゾイルアミノ]ベンジル]-1H-イミダゾール-5-酢酸メチル
  • メチル 2-[2-ブチル-4-クロロ-1-({4-[3-メチル-2-(トリフルオロメタンスルホンアミド)ベンズアミド]フェニル}メチル)-1H-イミダゾール-5-イル]アセタート
  • methyl 2-[2-butyl-4-chloro-1-({4-[3-methyl-2-(trifluoromethanesulfonamido)benzamido]phenyl}methyl)-1H-imidazol-5-yl]acetate
Other name (1):
  • 2-Butyl-4-chloro-1-[4-[2-(trifluoromethylsulfonylamino)-3-methylbenzoylamino]benzyl]-1H-imidazole-5-acetic acid methyl ester
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