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T1Y

Summary
Name:1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:C12 H15 F N2 O3 S
Formal charge:0
Formula weight:286.323 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
OpenEye OEToolkits2.0.71-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N2(CCN(S(c1cccc(c1)F)(=O)=O)CC2)C(=O)C
InChIInChI1.03InChI=1S/C12H15FN2O3S/c1-10(16)14-5-7-15(8-6-14)19(17,18)12-4-2-3-11(13)9-12/h2-4,9H,5-8H2,1H3
InChIKeyInChI1.03XHJTYTNVOUGFFA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N1CCN(CC1)[S](=O)(=O)c2cccc(F)c2
SMILESCACTVS3.385CC(=O)N1CCN(CC1)[S](=O)(=O)c2cccc(F)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N1CCN(CC1)S(=O)(=O)c2cccc(c2)F
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCN(CC1)S(=O)(=O)c2cccc(c2)F

217705

PDB entries from 2024-03-27

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