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

Systemtic Name: 5-chloranyl-3-(4-methylsulfonylphenyl)-2-pyridin-3-yl-pyridine; methanesulfonic acid Openeye Name: 5-chloro-3-(4-methylsulfonylphenyl)-2-(3-pyridyl)pyridine; methanesulfonic acid CAS Name: 5-chloro-3-(4-methylsulfonylphenyl)-2-(3-pyridinyl)pyridine; methanesulfonic acid IUPAC Name: 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine; methanesulfonic acid Traditional Name: 5-chloro-3-(4-mesylphenyl)-2-(3-pyridyl)pyridine; mesylic acid Formula: C18H17ClN2O5S2 MolecularWeight: 440.92098

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CN=C2C3=CN=CC=C3)Cl.CS(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CN=C2C3=CN=CC=C3)Cl.CS(=O)(=O)O

InChI

InChI=1S/C17H13ClN2O2S.CH4O3S/c1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13;1-5(2,3)4/h2-11H,1H3;1H3,(H,2,3,4)