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A1AO7

Summary
Name:5-fluoro-3-[(methanesulfonamido)methyl]-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid
Formula:C22 H19 F N2 O4 S
Formal charge:0
Formula weight:426.461 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-fluoro-3-[(methanesulfonamido)methyl]-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid
OpenEye OEToolkits2.0.75-fluoranyl-3-(methylsulfonylaminomethyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CS(=O)(=O)NCc1c2cc(F)ccc2n(Cc2cccc3ccccc32)c1C(=O)O
InChIInChI1.06InChI=1S/C22H19FN2O4S/c1-30(28,29)24-12-19-18-11-16(23)9-10-20(18)25(21(19)22(26)27)13-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,24H,12-13H2,1H3,(H,26,27)
InChIKeyInChI1.06YAMSMRYSISDZSF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)NCc1c2cc(F)ccc2n(Cc3cccc4ccccc34)c1C(O)=O
SMILESCACTVS3.385C[S](=O)(=O)NCc1c2cc(F)ccc2n(Cc3cccc4ccccc34)c1C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CS(=O)(=O)NCc1c2cc(ccc2n(c1C(=O)O)Cc3cccc4c3cccc4)F
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)NCc1c2cc(ccc2n(c1C(=O)O)Cc3cccc4c3cccc4)F

255615

PDB entries from 2026-06-24

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