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O56

Summary
Name:1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one
Formula:C19 H26 Cl F3 N2 O2 S2
Formal charge:0
Formula weight:471 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.01-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H26ClF3N2O2S2/c1-24(2)10-12-29-28-11-5-17(26)25-8-6-18(27,7-9-25)14-3-4-16(20)15(13-14)19(21,22)23/h3-4,13,27H,5-12H2,1-2H3
InChIKeyInChI1.06SSTMQKOHFHMVOP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c2ccc(Cl)c(c2)C(F)(F)F
SMILESCACTVS3.385CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c2ccc(Cl)c(c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CN(C)CCSSCCC(=O)N1CCC(CC1)(c2ccc(c(c2)C(F)(F)F)Cl)O
SMILESOpenEye OEToolkits3.1.0.0CN(C)CCSSCCC(=O)N1CCC(CC1)(c2ccc(c(c2)C(F)(F)F)Cl)O

222415

數據於2024-07-10公開中

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