2-[2-(5-ethylpyridin-2-yl)ethyl]-4-methyl-benzenesulfonate

Systemtic Name: 2-[2-(5-ethylpyridin-2-yl)ethyl]-4-methyl-benzenesulfonate Openeye Name: 2-[2-(5-ethyl-2-pyridyl)ethyl]-4-methyl-benzenesulfonate CAS Name: 2-[2-(5-ethyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonate IUPAC Name: 2-[2-(5-ethylpyridin-2-yl)ethyl]-4-methylbenzenesulfonate Traditional Name: 2-[2-(5-ethyl-2-pyridyl)ethyl]-4-methyl-besylate Formula: C16H18NO3S- MolecularWeight: 304.38402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CCC2=C(C=CC(=C2)C)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=CN=C(C=C1)CCC2=C(C=CC(=C2)C)S(=O)(=O)[O-]

InChI

InChI=1S/C16H19NO3S/c1-3-13-5-7-15(17-11-13)8-6-14-10-12(2)4-9-16(14)21(18,19)20/h4-5,7,9-11H,3,6,8H2,1-2H3,(H,18,19,20)/p-1