[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H27N3O5S/c1-17(2)25(19-7-4-3-5-8-19)21(26)16-30-22(27)18-10-13-24(14-11-18)31(28,29)20-9-6-12-23-15-20/h3-9,12,15,17-18H,10-11,13-14,16H2,1-2H3