[cyano-(6-phenoxypyridin-2-yl)methyl] 4-methylbenzenesulfonate

Systemtic Name: [cyano-(6-phenoxypyridin-2-yl)methyl] 4-methylbenzenesulfonate Openeye Name: [cyano-(6-phenoxy-2-pyridyl)methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [cyano-(6-phenoxy-2-pyridinyl)methyl] ester IUPAC Name: [cyano-(6-phenoxypyridin-2-yl)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [cyano-(6-phenoxy-2-pyridyl)methyl] ester Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C#N)C2=NC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C#N)C2=NC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H16N2O4S/c1-15-10-12-17(13-11-15)27(23,24)26-19(14-21)18-8-5-9-20(22-18)25-16-6-3-2-4-7-16/h2-13,19H,1H3