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

Systemtic Name: 2-[3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]ethanoic acid Openeye Name: 2-[3-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]phenyl]acetic acid CAS Name: 2-[3-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]phenyl]acetic acid IUPAC Name: 2-[3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]acetic acid Traditional Name: 2-[3-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]phenyl]acetic acid Formula: C27H25NO4S MolecularWeight: 459.5567

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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)CC(=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)CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C27H25NO4S/c1-27(2,33(3,31)32)23-16-22-11-6-12-28-26(22)24(17-23)21-10-5-9-20(15-21)19-8-4-7-18(13-19)14-25(29)30/h4-13,15-17H,14H2,1-3H3,(H,29,30)