(4-ethylphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (4-ethylphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (4-ethylphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-fluorophenyl)sulfonylnipecotic acid (4-ethylphenyl) ester Formula: C20H22FNO4S MolecularWeight: 391.456383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FNO4S/c1-2-15-5-9-18(10-6-15)26-20(23)16-4-3-13-22(14-16)27(24,25)19-11-7-17(21)8-12-19/h5-12,16H,2-4,13-14H2,1H3/t16-/m0/s1