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

A1H5P

Summary
Name:N-[4-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
Formula:C25 H26 Cl2 N4 O5 S2
Formal charge:0
Formula weight:597.534 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[4-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C25H26Cl2N4O5S2/c1-29(37(2,33)34)24-6-4-3-5-23(24)25(32)28-20-7-9-22(10-8-20)38(35,36)31-13-11-30(12-14-31)21-16-18(26)15-19(27)17-21/h3-10,15-17H,11-14H2,1-2H3,(H,28,32)
InChIKeyInChI1.06TYKCMUORLPNJOQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4cc(Cl)cc(Cl)c4)[S](C)(=O)=O
SMILESCACTVS3.385CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4cc(Cl)cc(Cl)c4)[S](C)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)Cl)S(=O)(=O)C
SMILESOpenEye OEToolkits2.0.7CN(c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)Cl)S(=O)(=O)C

225158

PDB entries from 2024-09-18

PDB statisticsPDBj update infoContact PDBjnumon