cyanomethyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: cyanomethyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: cyanomethyl 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid cyanomethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-12-8-13(2)11-18(10-12)23(20,21)15-5-3-4-14(9-15)16(19)22-7-6-17/h3-5,9,12-13H,7-8,10-11H2,1-2H3