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R1M

Summary
Name:1-(ethenylsulfonyl)-4-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}piperazine
Formula:C14 H16 F4 N2 O3 S
Formal charge:0
Formula weight:368.347 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(ethenylsulfonyl)-4-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}piperazine
OpenEye OEToolkits2.0.71-ethenylsulfonyl-4-[[3-fluoranyl-4-(trifluoromethyloxy)phenyl]methyl]piperazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1N(CCN(C1)S(/C=C)(=O)=O)Cc2ccc(c(c2)F)OC(F)(F)F
InChIInChI1.03InChI=1S/C14H16F4N2O3S/c1-2-24(21,22)20-7-5-19(6-8-20)10-11-3-4-13(12(15)9-11)23-14(16,17)18/h2-4,9H,1,5-8,10H2
InChIKeyInChI1.03WHVCBNZSLXXMMA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cc(CN2CCN(CC2)[S](=O)(=O)C=C)ccc1OC(F)(F)F
SMILESCACTVS3.385Fc1cc(CN2CCN(CC2)[S](=O)(=O)C=C)ccc1OC(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7C=CS(=O)(=O)N1CCN(CC1)Cc2ccc(c(c2)F)OC(F)(F)F
SMILESOpenEye OEToolkits2.0.7C=CS(=O)(=O)N1CCN(CC1)Cc2ccc(c(c2)F)OC(F)(F)F

251174

PDB entries from 2026-03-25

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