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A1IV0

Summary
Name:N4-[2-[4-(4-chloranyl-2-fluoranyl-phenyl)piperazin-1-yl]phenyl]-N1,N1-dimethyl-benzene-1,4-disulfonamide
Formula:C24 H26 Cl F N4 O4 S2
Formal charge:0
Formula weight:553.069 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}4-[2-[4-(4-chloranyl-2-fluoranyl-phenyl)piperazin-1-yl]phenyl]-~{N}1,~{N}1-dimethyl-benzene-1,4-disulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H26ClFN4O4S2/c1-28(2)36(33,34)20-10-8-19(9-11-20)35(31,32)27-22-5-3-4-6-24(22)30-15-13-29(14-16-30)23-12-7-18(25)17-21(23)26/h3-12,17,27H,13-16H2,1-2H3
InChIKeyInChI1.06YAZGOSKDIGLBNA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2ccccc2N3CCN(CC3)c4ccc(Cl)cc4F
SMILESCACTVS3.385CN(C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2ccccc2N3CCN(CC3)c4ccc(Cl)cc4F
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc2ccccc2N3CCN(CC3)c4ccc(cc4F)Cl
SMILESOpenEye OEToolkits2.0.7CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc2ccccc2N3CCN(CC3)c4ccc(cc4F)Cl

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PDB entries from 2026-04-08

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