5-chloranyl-2-(6-ethylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine; methanesulfonic acid

Systemtic Name: 5-chloranyl-2-(6-ethylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine; methanesulfonic acid Openeye Name: 5-chloro-2-(6-ethyl-3-pyridyl)-3-(4-methylsulfonylphenyl)pyridine; methanesulfonic acid CAS Name: 5-chloro-2-(6-ethyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine; methanesulfonic acid IUPAC Name: 5-chloro-2-(6-ethylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine; methanesulfonic acid Traditional Name: 5-chloro-2-(6-ethyl-3-pyridyl)-3-(4-mesylphenyl)pyridine; mesylic acid Formula: C20H21ClN2O5S2 MolecularWeight: 468.97414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl.CS(=O)(=O)O

Isomeric SMILES

CCC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl.CS(=O)(=O)O

InChI

InChI=1S/C19H17ClN2O2S.CH4O3S/c1-3-16-7-4-14(11-21-16)19-18(10-15(20)12-22-19)13-5-8-17(9-6-13)25(2,23)24;1-5(2,3)4/h4-12H,3H2,1-2H3;1H3,(H,2,3,4)