2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzyl]thio]nicotinic acid Formula: C26H24N2O4S2 MolecularWeight: 492.60976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=C(C=CC=N4)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=C(C=CC=N4)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C26H24N2O4S2/c1-26(2,34(3,31)32)20-14-19-9-5-11-27-23(19)22(15-20)18-8-4-7-17(13-18)16-33-24-21(25(29)30)10-6-12-28-24/h4-15H,16H2,1-3H3,(H,29,30)