[(1S)-1-(4-fluorophenyl)ethyl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [(1S)-1-(4-fluorophenyl)ethyl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [(1S)-1-(4-fluorophenyl)ethyl] 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid [(1S)-1-(4-fluorophenyl)ethyl] ester IUPAC Name: [(1S)-1-(4-fluorophenyl)ethyl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid [(1S)-1-(4-fluorophenyl)ethyl] ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C3=CC=C(C=C3)F)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O[C@@H](C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H26FNO4S/c1-15-12-16(2)14-24(13-15)29(26,27)21-10-6-19(7-11-21)22(25)28-17(3)18-4-8-20(23)9-5-18/h4-11,15-17H,12-14H2,1-3H3/t15-,16-,17+/m1/s1