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QLV

Summary
Name:N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide
Formula:C15 H20 F2 N2 O3 S
Formal charge:0
Formula weight:346.393 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide
OpenEye OEToolkits2.0.7~{N}-[5-[(~{E})-2-[4,4-bis(fluoranyl)cyclohexyl]ethenyl]-6-methoxy-pyridin-3-yl]methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(cnc(OC)c([C@H]=[C@H]C1CCC(CC1)(F)F)c2)NS(C)(=O)=O
InChIInChI1.03InChI=1S/C15H20F2N2O3S/c1-22-14-12(9-13(10-18-14)19-23(2,20)21)4-3-11-5-7-15(16,17)8-6-11/h3-4,9-11,19H,5-8H2,1-2H3/b4-3+
InChIKeyInChI1.03KJXYCXXAVTYSCU-ONEGZZNKSA-N
SMILES_CANONICALCACTVS3.385COc1ncc(N[S](C)(=O)=O)cc1/C=C/C2CCC(F)(F)CC2
SMILESCACTVS3.385COc1ncc(N[S](C)(=O)=O)cc1C=CC2CCC(F)(F)CC2
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1c(cc(cn1)NS(=O)(=O)C)/C=C/C2CCC(CC2)(F)F
SMILESOpenEye OEToolkits2.0.7COc1c(cc(cn1)NS(=O)(=O)C)C=CC2CCC(CC2)(F)F

222415

PDB entries from 2024-07-10

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