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

Systemtic Name: (4-methylphenyl)methyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: p-tolylmethyl 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid (4-methylbenzyl) 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)OCC3=CC=C(C=C3)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H27NO4S/c1-16-4-6-19(7-5-16)15-27-22(24)20-8-10-21(11-9-20)28(25,26)23-13-17(2)12-18(3)14-23/h4-11,17-18H,12-15H2,1-3H3/t17-,18-/m1/s1