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A1IV4

Summary
Name:N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]benzenesulfonamide
Formula:C23 H25 N3 O3 S
Formal charge:0
Formula weight:423.528 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[2-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H25N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-14,24H,15-18H2,1H3
InChIKeyInChI1.06DJQHXEVUPWVZGD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1N2CCN(CC2)c3ccccc3N[S](=O)(=O)c4ccccc4
SMILESCACTVS3.385COc1ccccc1N2CCN(CC2)c3ccccc3N[S](=O)(=O)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccccc1N2CCN(CC2)c3ccccc3NS(=O)(=O)c4ccccc4
SMILESOpenEye OEToolkits2.0.7COc1ccccc1N2CCN(CC2)c3ccccc3NS(=O)(=O)c4ccccc4

246704

PDB entries from 2025-12-24

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