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R8Q

Summary
Name:2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide
Formula:C10 H11 F4 N O2 S2
Formal charge:0
Formula weight:317.323 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H11F4NO2S2/c1-3-4-18-9-5(11)7(13)10(8(14)6(9)12)19(16,17)15-2/h15H,3-4H2,1-2H3
InChIKeyInChI1.03NTKHWXIITXMCEJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCSc1c(F)c(F)c(c(F)c1F)[S](=O)(=O)NC
SMILESCACTVS3.385CCCSc1c(F)c(F)c(c(F)c1F)[S](=O)(=O)NC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCSc1c(c(c(c(c1F)F)S(=O)(=O)NC)F)F
SMILESOpenEye OEToolkits2.0.7CCCSc1c(c(c(c(c1F)F)S(=O)(=O)NC)F)F

223532

PDB entries from 2024-08-07

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