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US9

Summary
Name:(3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
Formula:C15 H19 F3 N2 O4 S
Formal charge:0
Formula weight:380.383 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
OpenEye OEToolkits2.0.7(3~{R})-1-ethylsulfonyl-~{N}-[4-(trifluoromethyloxy)phenyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(CC)N1CCCC(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI1.06InChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-9-3-4-11(10-20)14(21)19-12-5-7-13(8-6-12)24-15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyInChI1.06BPAOPEQELJCSLA-LLVKDONJSA-N
SMILES_CANONICALCACTVS3.385CC[S](=O)(=O)N1CCC[C@H](C1)C(=O)Nc2ccc(OC(F)(F)F)cc2
SMILESCACTVS3.385CC[S](=O)(=O)N1CCC[CH](C1)C(=O)Nc2ccc(OC(F)(F)F)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CCS(=O)(=O)N1CCC[C@H](C1)C(=O)Nc2ccc(cc2)OC(F)(F)F
SMILESOpenEye OEToolkits2.0.7CCS(=O)(=O)N1CCCC(C1)C(=O)Nc2ccc(cc2)OC(F)(F)F

222415

數據於2024-07-10公開中

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