Chem
J-GLOBAL ID：201707005765068872   Nikkaji number：J3.611.603J

5-(3-Fluoro-4-sulfamoylbenzoyl)-1,2,3,3aβ,4,5,6,6aα-octahydropyrrolo[3,4-c]pyrrole-2-carboxylic acid 4-(trifluoromethoxy)benzyl ester

[4-(トリフルオロメトキシ)フェニル]メチル (3aS,6aS)-5-(3-フルオロ-4-スルファモイルベンゾイル)-オクタヒドロピロロ[3,4-c]ピロール-2-カルボキシラート
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： C22H21F4N3O6S
Molecular formula furigana： C22-H21-F4-N3-O6-S
Molecular weight： 531.480
InChI： InChI=1S/C22H21F4N3O6S/c23-18-7-14(3-6-19(18)36(27,32)33)20(30)28-8-15-10-29(11-16(15)9-28)21(31)34-12-13-1-4-17(5-2-13)35-22(24,25)26/h1-7,15-16H,8-12H2,(H2,27,32,33)/t15-,16-/m0/s1
InChI key： PCBOWMZAEDDKNH-HOTGVXAUSA-N
SMILES： NS(=O)(=O)c1ccc(cc1F)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)OCc1ccc(OC(F)(F)F)cc1
Systematic name  (3)：
  • 5-(3-フルオロ-4-スルファモイルベンゾイル)-1,2,3,3aβ,4,5,6,6aα-オクタヒドロピロロ[3,4-c]ピロール-2-カルボン酸4-(トリフルオロメトキシ)ベンジル
  • [4-(トリフルオロメトキシ)フェニル]メチル (3aS,6aS)-5-(3-フルオロ-4-スルファモイルベンゾイル)-オクタヒドロピロロ[3,4-c]ピロール-2-カルボキシラート
  • [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-5-(3-fluoro-4-sulfamoylbenzoyl)-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate
Other name (1)：
  • 5-(3-Fluoro-4-sulfamoylbenzoyl)-1,2,3,3aβ,4,5,6,6aα-octahydropyrrolo[3,4-c]pyrrole-2-carboxylic acid 4-(trifluoromethoxy)benzyl ester
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