Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

8L9

Summary
Name:5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid
Formula:C20 H14 Br Cl2 F N2 O6 S2
Formal charge:0
Formula weight:612.273 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.65-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H14BrCl2FN2O6S2/c1-10-4-17(24)16(21)9-18(10)26-34(31,32)19-3-2-13(8-15(19)20(27)28)25-33(29,30)14-6-11(22)5-12(23)7-14/h2-9,25-26H,1H3,(H,27,28)
InChIKeyInChI1.03MJYYUGUIBHEWRX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(F)c(Br)cc1N[S](=O)(=O)c2ccc(N[S](=O)(=O)c3cc(Cl)cc(Cl)c3)cc2C(O)=O
SMILESCACTVS3.385Cc1cc(F)c(Br)cc1N[S](=O)(=O)c2ccc(N[S](=O)(=O)c3cc(Cl)cc(Cl)c3)cc2C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(c(cc1NS(=O)(=O)c2ccc(cc2C(=O)O)NS(=O)(=O)c3cc(cc(c3)Cl)Cl)Br)F
SMILESOpenEye OEToolkits2.0.6Cc1cc(c(cc1NS(=O)(=O)c2ccc(cc2C(=O)O)NS(=O)(=O)c3cc(cc(c3)Cl)Cl)Br)F

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon