[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-[ethyl-(3-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O5S/c1-2-25(15-17-5-3-6-19(23)13-17)21(27)16-31-22(28)18-8-11-26(12-9-18)32(29,30)20-7-4-10-24-14-20/h3-7,10,13-14,18H,2,8-9,11-12,15-16H2,1H3