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6GQ

Summary
Name:N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide
Formula:C19 H24 N4 O3 S
Formal charge:0
Formula weight:388.484 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide
OpenEye OEToolkits2.0.4~{N},4-dimethyl-~{N}-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(CN(C)S(=O)(=O)c1ccc(C)cc1)N2CCN(CC2)c3ncccc3
InChIInChI1.03InChI=1S/C19H24N4O3S/c1-16-6-8-17(9-7-16)27(25,26)21(2)15-19(24)23-13-11-22(12-14-23)18-5-3-4-10-20-18/h3-10H,11-15H2,1-2H3
InChIKeyInChI1.03AVFZKEVCVCSCJE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(CC(=O)N1CCN(CC1)c2ccccn2)[S](=O)(=O)c3ccc(C)cc3
SMILESCACTVS3.385CN(CC(=O)N1CCN(CC1)c2ccccn2)[S](=O)(=O)c3ccc(C)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.4Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)c3ccccn3
SMILESOpenEye OEToolkits2.0.4Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)c3ccccn3

222415

PDB entries from 2024-07-10

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