(2-cyano-2-methyl-1-pyridin-4-yl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2-cyano-2-methyl-1-pyridin-4-yl-propyl) 4-methylbenzenesulfonate Openeye Name: [2-cyano-2-methyl-1-(4-pyridyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-cyano-2-methyl-1-pyridin-4-ylpropyl) ester IUPAC Name: (2-cyano-2-methyl-1-pyridin-4-ylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-cyano-2-methyl-1-(4-pyridyl)propyl] ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-13-4-6-15(7-5-13)23(20,21)22-16(17(2,3)12-18)14-8-10-19-11-9-14/h4-11,16H,1-3H3