N-(2-adamantyl)-1-(4-methylsulfonylphenyl)bicyclo[2.2.2]octane-4-carboxamide

Systemtic Name: N-(2-adamantyl)-1-(4-methylsulfonylphenyl)bicyclo[2.2.2]octane-4-carboxamide Openeye Name: N-(2-adamantyl)-1-(4-methylsulfonylphenyl)bicyclo[2.2.2]octane-4-carboxamide CAS Name: N-(2-adamantyl)-1-(4-methylsulfonylphenyl)-4-bicyclo[2.2.2]octanecarboxamide IUPAC Name: N-(2-adamantyl)-1-(4-methylsulfonylphenyl)bicyclo[2.2.2]octane-4-carboxamide Traditional Name: N-(2-adamantyl)-1-(4-mesylphenyl)bicyclo[2.2.2]octane-4-carboxamide Formula: C26H35NO3S MolecularWeight: 441.626

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C23CCC(CC2)(CC3)C(=O)NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C23CCC(CC2)(CC3)C(=O)NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C26H35NO3S/c1-31(29,30)22-4-2-21(3-5-22)25-6-9-26(10-7-25,11-8-25)24(28)27-23-19-13-17-12-18(15-19)16-20(23)14-17/h2-5,17-20,23H,6-16H2,1H3,(H,27,28)