[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)C

InChI

InChI=1S/C20H29N3O5S/c1-15-5-3-6-16(2)23(15)19(24)14-28-20(25)17-8-11-22(12-9-17)29(26,27)18-7-4-10-21-13-18/h4,7,10,13,15-17H,3,5-6,8-9,11-12,14H2,1-2H3