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

L4W

Summary
Name:4-pentoxybenzenesulfonamide
Formula:C11 H17 N O3 S
Formal charge:0
Formula weight:243.323 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-pentoxybenzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H17NO3S/c1-2-3-4-9-15-10-5-7-11(8-6-10)16(12,13)14/h5-8H,2-4,9H2,1H3,(H2,12,13,14)
InChIKeyInChI1.03JFSAJYVAWXIPQG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCOc1ccc(cc1)[S](N)(=O)=O
SMILESCACTVS3.385CCCCCOc1ccc(cc1)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCOc1ccc(cc1)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7CCCCCOc1ccc(cc1)S(=O)(=O)N

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon