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U1M

Summary
Name:1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:C14 H20 N2 O3 S
Formal charge:0
Formula weight:296.385 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
OpenEye OEToolkits2.0.71-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N2(CCN(S(c1ccc(cc1C)C)(=O)=O)CC2)C(C)=O
InChIInChI1.03InChI=1S/C14H20N2O3S/c1-11-4-5-14(12(2)10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3
InChIKeyInChI1.03VKTWNRQXKPNSFH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2C
SMILESCACTVS3.385CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2C
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)C(=O)C
SMILESOpenEye OEToolkits2.0.7Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)C(=O)C

218853

PDB entries from 2024-04-24

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