(2-oxidanyl-2-pyridin-2-yl-ethyl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanyl-2-pyridin-2-yl-ethyl) 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-2-(2-pyridyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-2-(2-pyridinyl)ethyl] ester IUPAC Name: (2-hydroxy-2-pyridin-2-ylethyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-2-(2-pyridyl)ethyl] ester Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4S/c1-11-5-7-12(8-6-11)20(17,18)19-10-14(16)13-4-2-3-9-15-13/h2-9,14,16H,10H2,1H3