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A1CHL

Summary
Name:N-(4-{2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-[(methanesulfonyl)(methyl)amino]benzamide
Formula:C27 H28 Cl2 N4 O4 S
Formal charge:0
Formula weight:575.507 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-(4-{2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-[(methanesulfonyl)(methyl)amino]benzamide
OpenEye OEToolkits3.1.0.0~{N}-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]-2-[methyl(methylsulfonyl)amino]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1)N1CCN(CC1)c1cc(Cl)cc(Cl)c1
InChIInChI1.06InChI=1S/C27H28Cl2N4O4S/c1-31(38(2,36)37)25-6-4-3-5-24(25)27(35)30-22-9-7-19(8-10-22)15-26(34)33-13-11-32(12-14-33)23-17-20(28)16-21(29)18-23/h3-10,16-18H,11-15H2,1-2H3,(H,30,35)
InChIKeyInChI1.06GUWJOTQUAVLMII-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(c1ccccc1C(=O)Nc2ccc(CC(=O)N3CCN(CC3)c4cc(Cl)cc(Cl)c4)cc2)[S](C)(=O)=O
SMILESCACTVS3.385CN(c1ccccc1C(=O)Nc2ccc(CC(=O)N3CCN(CC3)c4cc(Cl)cc(Cl)c4)cc2)[S](C)(=O)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CN(c1ccccc1C(=O)Nc2ccc(cc2)CC(=O)N3CCN(CC3)c4cc(cc(c4)Cl)Cl)S(=O)(=O)C
SMILESOpenEye OEToolkits3.1.0.0CN(c1ccccc1C(=O)Nc2ccc(cc2)CC(=O)N3CCN(CC3)c4cc(cc(c4)Cl)Cl)S(=O)(=O)C

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PDB entries from 2026-05-20

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