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

Systemtic Name: (4-cyanophenyl)methyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (4-cyanophenyl)methyl 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid (4-cyanobenzyl) ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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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#N)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#N)C

InChI

InChI=1S/C22H24N2O4S/c1-16-11-17(2)14-24(13-16)29(26,27)21-9-7-20(8-10-21)22(25)28-15-19-5-3-18(12-23)4-6-19/h3-10,16-17H,11,13-15H2,1-2H3/t16-,17-/m1/s1