2-(2-cyanopyridin-4-yl)ethyl benzenesulfonate

Systemtic Name: 2-(2-cyanopyridin-4-yl)ethyl benzenesulfonate Openeye Name: 2-(2-cyano-4-pyridyl)ethyl benzenesulfonate CAS Name: benzenesulfonic acid 2-(2-cyano-4-pyridinyl)ethyl ester IUPAC Name: 2-(2-cyanopyridin-4-yl)ethyl benzenesulfonate Traditional Name: benzenesulfonic acid 2-(2-cyano-4-pyridyl)ethyl ester Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=NC=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=NC=C2)C#N

InChI

InChI=1S/C14H12N2O3S/c15-11-13-10-12(6-8-16-13)7-9-19-20(17,18)14-4-2-1-3-5-14/h1-6,8,10H,7,9H2