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

Systemtic Name: 2-[2-(5-ethylpyridin-2-yl)ethyl]-4-methyl-benzenesulfonic acid Openeye Name: 2-[2-(5-ethyl-2-pyridyl)ethyl]-4-methyl-benzenesulfonic acid CAS Name: 2-[2-(5-ethyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonic acid IUPAC Name: 2-[2-(5-ethylpyridin-2-yl)ethyl]-4-methylbenzenesulfonic acid Traditional Name: 2-[2-(5-ethyl-2-pyridyl)ethyl]-4-methyl-besylic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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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)