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

A1BVG

Summary
Name:3-sulfamoylpropyl 2-(4-fluorobenzoyl)benzoate
Formula:C17 H16 F N O5 S
Formal charge:0
Formula weight:365.376 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-sulfamoylpropyl 2-(4-fluorobenzoyl)benzoate
OpenEye OEToolkits3.1.0.03-sulfamoylpropyl 2-(4-fluorophenyl)carbonylbenzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(c1ccc(F)cc1)c1ccccc1C(=O)OCCCS(N)(=O)=O
InChIInChI1.06InChI=1S/C17H16FNO5S/c18-13-8-6-12(7-9-13)16(20)14-4-1-2-5-15(14)17(21)24-10-3-11-25(19,22)23/h1-2,4-9H,3,10-11H2,(H2,19,22,23)
InChIKeyInChI1.06MLQZRKISRCFCFZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)CCCOC(=O)c1ccccc1C(=O)c2ccc(F)cc2
SMILESCACTVS3.385N[S](=O)(=O)CCCOC(=O)c1ccccc1C(=O)c2ccc(F)cc2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OCCCS(=O)(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OCCCS(=O)(=O)N

248335

PDB entries from 2026-01-28

PDB statisticsPDBj update infoContact PDBjnumon