[4-(1,3-dithiolan-2-yl)phenyl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C22H22FNO3S2 MolecularWeight: 431.543383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H22FNO3S2/c23-18-7-3-15(4-8-18)20(25)24-11-1-2-17(14-24)21(26)27-19-9-5-16(6-10-19)22-28-12-13-29-22/h3-10,17,22H,1-2,11-14H2