[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C19H26FN3O5S MolecularWeight: 427.490243

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H26FN3O5S/c1-29(26,27)23-8-6-15(7-9-23)19(25)28-14-18(24)22-12-10-21(11-13-22)17-4-2-16(20)3-5-17/h2-5,15H,6-14H2,1H3