(3,4-dimethylphenyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (3,4-dimethylphenyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (3,4-dimethylphenyl) 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid (3,4-dimethylphenyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C22H27NO4S/c1-15-11-16(2)14-23(13-15)28(25,26)21-9-6-19(7-10-21)22(24)27-20-8-5-17(3)18(4)12-20/h5-10,12,15-16H,11,13-14H2,1-4H3/t15-,16-/m1/s1