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

Systemtic Name: (4-cyanophenyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (4-cyanophenyl) 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid (4-cyanophenyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H22N2O4S/c1-15-10-16(2)14-23(13-15)28(25,26)20-5-3-4-18(11-20)21(24)27-19-8-6-17(12-22)7-9-19/h3-9,11,15-16H,10,13-14H2,1-2H3