[2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H30N2O5S MolecularWeight: 446.5597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c26-21(23-11-16-8-17(12-23)10-18(9-16)13-23)15-30-22(27)19-3-6-25(7-4-19)31(28,29)20-2-1-5-24-14-20/h1-2,5,14,16-19H,3-4,6-13,15H2