(6-oxidanylidenepiperidin-3-yl) 2-(4-phenoxyphenyl)ethanesulfonate

Systemtic Name: (6-oxidanylidenepiperidin-3-yl) 2-(4-phenoxyphenyl)ethanesulfonate Openeye Name: (6-oxo-3-piperidyl) 2-(4-phenoxyphenyl)ethanesulfonate CAS Name: 2-(4-phenoxyphenyl)ethanesulfonic acid (6-oxo-3-piperidinyl) ester IUPAC Name: (6-oxopiperidin-3-yl) 2-(4-phenoxyphenyl)ethanesulfonate Traditional Name: 2-(4-phenoxyphenyl)ethanesulfonic acid (6-keto-3-piperidyl) ester Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NCC1OS(=O)(=O)CCC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)NCC1OS(=O)(=O)CCC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H21NO5S/c21-19-11-10-18(14-20-19)25-26(22,23)13-12-15-6-8-17(9-7-15)24-16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,20,21)