3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzoic acid

Systemtic Name: 3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzoic acid Openeye Name: 3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]benzoic acid CAS Name: 3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]benzoic acid IUPAC Name: 3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzoic acid Traditional Name: 3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzoic acid Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO4S/c1-20(2,26(3,24)25)16-11-14-8-5-9-21-18(14)17(12-16)13-6-4-7-15(10-13)19(22)23/h4-12H,1-3H3,(H,22,23)