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

Systemtic Name: (4-cyanophenyl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (4-cyanophenyl)methyl 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(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=CC(=C2)C(=O)OCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=C(C=C3)C#N)C

InChI

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