[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)C

InChI

InChI=1S/C23H29N3O5S/c1-16-6-7-20(13-17(16)2)18(3)25-22(27)15-31-23(28)19-8-11-26(12-9-19)32(29,30)21-5-4-10-24-14-21/h4-7,10,13-14,18-19H,8-9,11-12,15H2,1-3H3,(H,25,27)