Chem
J-GLOBAL ID:201307001243727706
Nikkaji number:J3.194.298E
2-(1,1-Dimethyl-3-hydroxy-3-trifluoromethyl-4-(5-ethylsulfonyl-1H-pyrrolo[2,3-c]pyridine-2-yl)butyl)-5-fluorobenzamide
2-(1,1-ジメチル-3-ヒドロキシ-3-トリフルオロメチル-4-(5-エチルスルホニル-1H-ピロロ[2,3-c]ピリジン-2-イル)ブチル)-5-フルオロベンズアミド
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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:
C23 H25 F4 N3 O4 S
Molecular formula furigana:
C23-H25-F4-N3-O4-S
Molecular weight:
515.520
InChI:
InChI=1S/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31)
InChI key:
AUIFRJWXYUNPPV-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccc(F)cc3C(=O)N)C(F)(F)F)[nH]c2cn1
Systematic name (4):
2-(1,1-ジメチル-3-ヒドロキシ-3-トリフルオロメチル-4-(5-(エチルスルホニル)-1H-ピロロ[2,3-c]ピリジン-2-イル)ブチル)-5-フルオロベンズアミド
2-(1,1-ジメチル-3-ヒドロキシ-3-トリフルオロメチル-4-(5-エチルスルホニル-1H-ピロロ[2,3-c]ピリジン-2-イル)ブチル)-5-フルオロベンズアミド
2-(4-{[5-(エタンスルホニル)-1H-ピロロ[2,3-c]ピリジン-2-イル]メチル}-5,5,5-トリフルオロ-4-ヒドロキシ-2-メチルペンタン-2-イル)-5-フルオロベンズアミド
2-(4-{[5-(ethanesulfonyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]methyl}-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-5-fluorobenzamide
Other name (2):
2-(1,1-Dimethyl-3-hydroxy-3-trifluoromethyl-4-(5-(ethylsulfonyl)-1H-pyrrolo[2,3-c]pyridine-2-yl)butyl)-5-fluorobenzamide
2-(1,1-Dimethyl-3-hydroxy-3-trifluoromethyl-4-(5-ethylsulfonyl-1H-pyrrolo[2,3-c]pyridine-2-yl)butyl)-5-fluorobenzamide
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