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

Systemtic Name: (3-methylphenyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: m-tolyl 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid m-tolyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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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)C)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)C)C

InChI

InChI=1S/C21H25NO4S/c1-15-5-4-6-19(12-15)26-21(23)18-7-9-20(10-8-18)27(24,25)22-13-16(2)11-17(3)14-22/h4-10,12,16-17H,11,13-14H2,1-3H3/t16-,17-/m1/s1