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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CN=CC=C5

InChI

InChI=1S/C23H31N3O5S/c27-21(25-23-11-16-8-17(12-23)10-18(9-16)13-23)15-31-22(28)19-3-6-26(7-4-19)32(29,30)20-2-1-5-24-14-20/h1-2,5,14,16-19H,3-4,6-13,15H2,(H,25,27)