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

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H27N5O5S/c28-21(26-14-12-25(13-15-26)20-5-1-2-9-24-20)17-32-22(29)18-6-10-27(11-7-18)33(30,31)19-4-3-8-23-16-19/h1-5,8-9,16,18H,6-7,10-15,17H2