[2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H31NO5S/c26-22(24-13-17-10-18(14-24)12-19(11-17)15-24)16-30-23(27)20-6-8-25(9-7-20)31(28,29)21-4-2-1-3-5-21/h1-5,17-20H,6-16H2