(2,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (2,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (2,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-fluorophenyl)sulfonylnipecotic acid (2,4-dimethylphenyl) ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

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