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

A1H55

Summary
Name:~{N}-[4-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]sulfonylphenyl]-3-(methylsulfonylamino)benzamide
Formula:C24 H24 Cl2 N4 O5 S2
Formal charge:0
Formula weight:583.507 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[4-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]sulfonylphenyl]-3-(methylsulfonylamino)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H24Cl2N4O5S2/c1-36(32,33)28-21-4-2-3-17(13-21)24(31)27-20-5-7-23(8-6-20)37(34,35)30-11-9-29(10-12-30)22-15-18(25)14-19(26)16-22/h2-8,13-16,28H,9-12H2,1H3,(H,27,31)
InChIKeyInChI1.06MDKRLDWZVFMEJO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4cc(Cl)cc(Cl)c4
SMILESCACTVS3.385C[S](=O)(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4cc(Cl)cc(Cl)c4
SMILES_CANONICALOpenEye OEToolkits2.0.7CS(=O)(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)Cl
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)Cl

249697

PDB entries from 2026-02-25

PDB statisticsPDBj update infoContact PDBjnumon