[(1S)-1-[6-[(1S)-1-oxidanylethyl]pyridin-2-yl]ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S)-1-[6-[(1S)-1-oxidanylethyl]pyridin-2-yl]ethyl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[6-[(1S)-1-hydroxyethyl]-2-pyridyl]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S)-1-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]ethyl] ester IUPAC Name: [(1S)-1-[6-[(1S)-1-hydroxyethyl]pyridin-2-yl]ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-[6-[(1S)-1-hydroxyethyl]-2-pyridyl]ethyl] ester Formula: C16H19NO4S MolecularWeight: 321.39136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2=CC=CC(=N2)C(C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C)C2=CC=CC(=N2)[C@H](C)O

InChI

InChI=1S/C16H19NO4S/c1-11-7-9-14(10-8-11)22(19,20)21-13(3)16-6-4-5-15(17-16)12(2)18/h4-10,12-13,18H,1-3H3/t12-,13-/m0/s1