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IOE

Summary
Name:4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE
Formula:C14 H11 F3 N2 O3 S
Formal charge:0
Formula weight:344.309 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-sulfamoyl-N-(2,4,6-trifluorobenzyl)benzamide
OpenEye OEToolkits1.5.04-sulfamoyl-N-[(2,4,6-trifluorophenyl)methyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cc(F)cc(F)c1CNC(=O)c2ccc(cc2)S(=O)(=O)N
SMILES_CANONICALCACTVS3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2c(F)cc(F)cc2F
SMILESCACTVS3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2c(F)cc(F)cc2F
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)NCc2c(cc(cc2F)F)F)S(=O)(=O)N
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)NCc2c(cc(cc2F)F)F)S(=O)(=O)N
InChIInChI1.03InChI=1S/C14H11F3N2O3S/c15-9-5-12(16)11(13(17)6-9)7-19-14(20)8-1-3-10(4-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)
InChIKeyInChI1.03DVTYOTODFLDHRL-UHFFFAOYSA-N

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PDB entries from 2024-08-07

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