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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

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