prop-2-ynyl 4-[1-(4-methylsulfonylphenyl)-2-oxidanylidene-pyridin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[1-(4-methylsulfonylphenyl)-2-oxidanylidene-pyridin-4-yl]oxypiperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridyl]oxy]piperidine-1-carboxylate CAS Name: 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[1-(4-methylsulfonylphenyl)-2-oxopyridin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[[2-keto-1-(4-mesylphenyl)-4-pyridyl]oxy]piperidine-1-carboxylic acid propargyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C=CC(=CC2=O)OC3CCN(CC3)C(=O)OCC#C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=CC(=CC2=O)OC3CCN(CC3)C(=O)OCC#C

InChI

InChI=1S/C21H22N2O6S/c1-3-14-28-21(25)22-11-8-17(9-12-22)29-18-10-13-23(20(24)15-18)16-4-6-19(7-5-16)30(2,26)27/h1,4-7,10,13,15,17H,8-9,11-12,14H2,2H3