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P9B

Summary
Name:4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
Formula:C13 H8 F5 N3 O3 S
Formal charge:0
Formula weight:381.278 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
OpenEye OEToolkits1.7.01-(2,3,4,5,6-pentafluorophenyl)-3-(4-sulfamoylphenyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c2ccc(NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)cc2
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
SMILESCACTVS3.370N[S](=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N
InChIInChI1.03InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
InChIKeyInChI1.03IOSBUNBTXXXMFG-UHFFFAOYSA-N

222415

數據於2024-07-10公開中

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