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

A1ELE

Summary
Name:3-methoxy-N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
Synonyms:CHEMBL1436015
Formula:C17 H16 N4 O4 S2
Formal charge:0
Formula weight:404.463 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-methoxy-~{N}-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H16N4O4S2/c1-11-5-3-7-13(9-11)21-27(23,24)17-20-19-16(26-17)18-15(22)12-6-4-8-14(10-12)25-2/h3-10,21H,1-2H3,(H,18,19,22)
InChIKeyInChI1.06NAATWMSNCJQUAW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(c1)C(=O)Nc2sc(nn2)[S](=O)(=O)Nc3cccc(C)c3
SMILESCACTVS3.385COc1cccc(c1)C(=O)Nc2sc(nn2)[S](=O)(=O)Nc3cccc(C)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3cccc(c3)OC
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3cccc(c3)OC

250359

PDB entries from 2026-03-11

PDB statisticsPDBj update infoContact PDBjnumon