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

6YH

Summary
Name:4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide
Formula:C15 H13 N3 O3 S
Formal charge:0
Formula weight:315.347 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.54-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H13N3O3S/c16-22(20,21)12-7-5-11(6-8-12)15(19)9-18-10-17-13-3-1-2-4-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
InChIKeyInChI1.03OIERKPBIGGJOPY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)Cn2cnc3ccccc23
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)Cn2cnc3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.5c1ccc2c(c1)ncn2CC(=O)c3ccc(cc3)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.5c1ccc2c(c1)ncn2CC(=O)c3ccc(cc3)S(=O)(=O)N

224931

數據於2024-09-11公開中

PDB statisticsPDBj update infoContact PDBjnumon