(2,6-dimethoxyphenyl) 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (2,6-dimethoxyphenyl) 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (2,6-dimethoxyphenyl) 4-[[(3R,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5S)-3,5-dimethylpiperidino]sulfonylbenzoic acid (2,6-dimethoxyphenyl) ester Formula: C22H27NO6S MolecularWeight: 433.51788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=C(C=CC=C3OC)OC)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=C(C=CC=C3OC)OC)C

InChI

InChI=1S/C22H27NO6S/c1-15-12-16(2)14-23(13-15)30(25,26)18-10-8-17(9-11-18)22(24)29-21-19(27-3)6-5-7-20(21)28-4/h5-11,15-16H,12-14H2,1-4H3/t15-,16+