Chem
J-GLOBAL ID：200907031656402957   Nikkaji number：J2.420.573H

1-(4-Chlorobenzyl)-5-fluoro-7-mesyl-2,3-propano-1H-indole-10-ylacetic acid

1-(4-クロロベンジル)-5-フルオロ-7-メシル-2,3-プロパノ-1H-インドール-10-イル酢酸
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： C21H19ClFNO4S
Molecular formula furigana： C21-H19-CL-F-N-O4-S
Molecular weight： 435.890
InChI： InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)
InChI key： NXFFJDQHYLNEJK-UHFFFAOYSA-N
SMILES： CS(=O)(=O)c1cc(F)cc2c3CCC(CC(=O)O)c3n(Cc3ccc(Cl)cc3)c12
Systematic name  (3)：
  • 1-(4-クロロベンジル)-5-フルオロ-7-メシル-2,3-プロパノ-1H-インドール-10-イル酢酸
  • 2-{4-[(4-クロロフェニル)メチル]-7-フルオロ-5-メタンスルホニル-1H,2H,3H,4H-シクロペンタ[b]インドール-3-イル}酢酸
  • 2-{4-[(4-chlorophenyl)methyl]-7-fluoro-5-methanesulfonyl-1H,2H,3H,4H-cyclopenta[b]indol-3-yl}acetic acid
Other name (1)：
  • 1-(4-Chlorobenzyl)-5-fluoro-7-mesyl-2,3-propano-1H-indole-10-ylacetic acid
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