(2-propoxyphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (2-propoxyphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (2-propoxyphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid (2-propoxyphenyl) ester IUPAC Name: (2-propoxyphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-fluorophenyl)sulfonylnipecotic acid (2-propoxyphenyl) ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCOC1=CC=CC=C1OC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FNO5S/c1-2-14-27-19-7-3-4-8-20(19)28-21(24)16-6-5-13-23(15-16)29(25,26)18-11-9-17(22)10-12-18/h3-4,7-12,16H,2,5-6,13-15H2,1H3/t16-/m0/s1