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

Systemtic Name: 1-(1-adamantyl)-2-[(6-chloranylpyridin-3-yl)methylsulfonyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(6-chloro-3-pyridyl)methylsulfonyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(6-chloro-3-pyridinyl)methylsulfonyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(6-chloropyridin-3-yl)methylsulfonyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(6-chloro-3-pyridyl)methylsulfonyl]ethanone Formula: C18H22ClNO3S MolecularWeight: 367.89018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO3S/c19-17-2-1-12(9-20-17)10-24(22,23)11-16(21)18-6-13-3-14(7-18)5-15(4-13)8-18/h1-2,9,13-15H,3-8,10-11H2