1-(1-adamantyl)-2-[[6-(trifluoromethyl)pyridin-3-yl]methylsulfonyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[6-(trifluoromethyl)pyridin-3-yl]methylsulfonyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[6-(trifluoromethyl)-3-pyridyl]methylsulfonyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfonyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[6-(trifluoromethyl)pyridin-3-yl]methylsulfonyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[6-(trifluoromethyl)-3-pyridyl]methylsulfonyl]ethanone Formula: C19H22F3NO3S MolecularWeight: 401.44309

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CS(=O)(=O)CC4=CN=C(C=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CS(=O)(=O)CC4=CN=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H22F3NO3S/c20-19(21,22)16-2-1-12(9-23-16)10-27(25,26)11-17(24)18-6-13-3-14(7-18)5-15(4-13)8-18/h1-2,9,13-15H,3-8,10-11H2