[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 1-(8-quinolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(8-quinolinylsulfonyl)-4-piperidinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 1-quinolin-8-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(8-quinolylsulfonyl)isonipecotic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C23H21FN2O5S MolecularWeight: 456.486643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H21FN2O5S/c24-19-8-6-16(7-9-19)20(27)15-31-23(28)18-10-13-26(14-11-18)32(29,30)21-5-1-3-17-4-2-12-25-22(17)21/h1-9,12,18H,10-11,13-15H2