Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

SYJ

Summary
Name:2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide
Formula:C11 H10 F N O3 S
Formal charge:0
Formula weight:255.265 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H10FNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2
InChIKeyInChI1.03PUDNUBFHZZXPAS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccccc1[S](=O)(=O)NCc2occc2
SMILESCACTVS3.385Fc1ccccc1[S](=O)(=O)NCc2occc2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2

227344

数据于2024-11-13公开中

PDB statisticsPDBj update infoContact PDBjnumon