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FFB

Summary
Name:N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
Formula:C14 H9 F5 N2 O3 S
Formal charge:0
Formula weight:380.29 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(pentafluorophenyl)methyl]-4-sulfamoylbenzamide
OpenEye OEToolkits1.7.6N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]-4-sulfamoyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(N)(=O)=O
InChIInChI1.03InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-14(22)6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)
InChIKeyInChI1.03LRKSHOLYETXPGY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2c(F)c(F)c(F)c(F)c2F
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2c(F)c(F)c(F)c(F)c2F
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N

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數據於2024-07-17公開中

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