1-[3-methylsulfanyl-4-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methoxy]-2-oxidanyl-phenyl]ethanone

Systemtic Name: 1-[3-methylsulfanyl-4-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methoxy]-2-oxidanyl-phenyl]ethanone Openeye Name: 1-[2-hydroxy-4-[[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]methoxy]-3-methylsulfanyl-phenyl]ethanone CAS Name: 1-[2-hydroxy-4-[[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]methoxy]-3-(methylthio)phenyl]ethanone IUPAC Name: 1-[2-hydroxy-3-methylsulfanyl-4-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methoxy]phenyl]ethanone Traditional Name: 1-[2-hydroxy-4-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzyl]oxy-3-(methylthio)phenyl]ethanone Formula: C29H29NO5S2 MolecularWeight: 535.67426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)OCC2=CC=CC(=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)SC)O

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)OCC2=CC=CC(=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)SC)O

InChI

InChI=1S/C29H29NO5S2/c1-18(31)23-11-12-25(28(36-4)27(23)32)35-17-19-8-6-9-20(14-19)24-16-22(29(2,3)37(5,33)34)15-21-10-7-13-30-26(21)24/h6-16,32H,17H2,1-5H3