QLV

N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide

Created:2019-11-15
Last modified:  2020-06-24

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count44
Aromatic Bond Count6
2D diagram of QLV

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Chemical Component Summary

NameN-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide
Systematic Name (OpenEye OEToolkits)~{N}-[5-[(~{E})-2-[4,4-bis(fluoranyl)cyclohexyl]ethenyl]-6-methoxy-pyridin-3-yl]methanesulfonamide
FormulaC15 H20 F2 N2 O3 S
Molecular Weight346.393
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(cnc(OC)c([C@H]=[C@H]C1CCC(CC1)(F)F)c2)NS(C)(=O)=O
SMILESCACTVS3.385COc1ncc(N[S](C)(=O)=O)cc1C=CC2CCC(F)(F)CC2
SMILESOpenEye OEToolkits2.0.7COc1c(cc(cn1)NS(=O)(=O)C)C=CC2CCC(CC2)(F)F
Canonical SMILESCACTVS3.385 COc1ncc(N[S](C)(=O)=O)cc1/C=C/C2CCC(F)(F)CC2
Canonical SMILESOpenEye OEToolkits2.0.7 COc1c(cc(cn1)NS(=O)(=O)C)/C=C/C2CCC(CC2)(F)F
InChIInChI1.03 InChI=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+
InChIKeyInChI1.03 KJXYCXXAVTYSCU-ONEGZZNKSA-N

Related Resource References

Resource NameReference
PubChem 146171270