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L1Q

Summary
Name:2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide
Formula:C9 H9 F4 N O2 S
Formal charge:0
Formula weight:271.232 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H9F4NO2S/c1-2-3-4-5(10)7(12)9(17(14,15)16)8(13)6(4)11/h2-3H2,1H3,(H2,14,15,16)
InChIKeyInChI1.03QCRSPYSAXKPYLP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
SMILESCACTVS3.385CCCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F
SMILESOpenEye OEToolkits2.0.7CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F

222415

PDB entries from 2024-07-10

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