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

Systemtic Name: 3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]benzoic acid Openeye Name: 3-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]benzoic acid CAS Name: 3-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]benzoic acid IUPAC Name: 3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]benzoic acid Traditional Name: 3-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]benzoic acid Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C26H23NO4S/c1-26(2,32(3,30)31)22-15-20-11-6-12-27-24(20)23(16-22)19-9-4-7-17(13-19)18-8-5-10-21(14-18)25(28)29/h4-16H,1-3H3,(H,28,29)