[2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (3S)-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (3S)-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] (3S)-1-(2-thienylsulfonyl)piperidine-3-carboxylate CAS Name: (3S)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxylic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] (3S)-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(2-thienylsulfonyl)nipecotic acid [2-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C18H18FNO5S2 MolecularWeight: 411.467623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)OCC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)OCC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H18FNO5S2/c19-15-6-1-4-13(10-15)16(21)12-25-18(22)14-5-2-8-20(11-14)27(23,24)17-7-3-9-26-17/h1,3-4,6-7,9-10,14H,2,5,8,11-12H2/t14-/m0/s1