[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C26H35NO6S MolecularWeight: 489.6242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H35NO6S/c1-17(24(28)26-14-18-11-19(15-26)13-20(12-18)16-26)33-25(29)21-7-9-27(10-8-21)34(30,31)23-5-3-22(32-2)4-6-23/h3-6,17-21H,7-16H2,1-2H3