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

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C23H27FN4O5S MolecularWeight: 490.547683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H27FN4O5S/c24-20-5-1-2-6-21(20)26-12-14-27(15-13-26)22(29)17-33-23(30)18-7-10-28(11-8-18)34(31,32)19-4-3-9-25-16-19/h1-6,9,16,18H,7-8,10-15,17H2