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

VL0

Summary
Name:2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid
Formula:C20 H17 N O5 S
Formal charge:0
Formula weight:383.418 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H17NO5S/c22-19-11-10-17(13-18(19)20(23)24)27(25,26)21-16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13,21-22H,12H2,(H,23,24)
InChIKeyInChI1.06RLHVRGDXIJZLQC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(ccc1O)[S](=O)(=O)Nc2ccc(Cc3ccccc3)cc2
SMILESCACTVS3.385OC(=O)c1cc(ccc1O)[S](=O)(=O)Nc2ccc(Cc3ccccc3)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)Cc2ccc(cc2)NS(=O)(=O)c3ccc(c(c3)C(=O)O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)Cc2ccc(cc2)NS(=O)(=O)c3ccc(c(c3)C(=O)O)O

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon