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

Systemtic Name: (3-chlorophenyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (3-chlorophenyl) 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid (3-chlorophenyl) ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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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(=CC=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4S/c1-14-10-15(2)13-22(12-14)27(24,25)19-8-6-16(7-9-19)20(23)26-18-5-3-4-17(21)11-18/h3-9,11,14-15H,10,12-13H2,1-2H3/t14-,15-/m1/s1