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R1G

Summary
Name:1-(ethenylsulfonyl)-4-{[4-(trifluoromethoxy)phenyl]methyl}piperazine
Formula:C14 H17 F3 N2 O3 S
Formal charge:0
Formula weight:350.357 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(c1ccc(OC(F)(F)F)cc1)N2CCN(CC2)S([C@H]=C)(=O)=O
InChIInChI1.03InChI=1S/C14H17F3N2O3S/c1-2-23(20,21)19-9-7-18(8-10-19)11-12-3-5-13(6-4-12)22-14(15,16)17/h2-6H,1,7-11H2
InChIKeyInChI1.03GHSHTESCNBFZCN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)Oc1ccc(CN2CCN(CC2)[S](=O)(=O)C=C)cc1
SMILESCACTVS3.385FC(F)(F)Oc1ccc(CN2CCN(CC2)[S](=O)(=O)C=C)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7C=CS(=O)(=O)N1CCN(CC1)Cc2ccc(cc2)OC(F)(F)F
SMILESOpenEye OEToolkits2.0.7C=CS(=O)(=O)N1CCN(CC1)Cc2ccc(cc2)OC(F)(F)F

250835

PDB entries from 2026-03-18

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