8-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline

Systemtic Name: 8-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline Openeye Name: 6-(1-methyl-1-methylsulfonyl-ethyl)-8-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]quinoline CAS Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-[[2-(methylthio)phenoxy]methyl]phenyl]quinoline IUPAC Name: 8-[3-[(2-methylsulfanylphenoxy)methyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline Traditional Name: 6-(1-mesyl-1-methyl-ethyl)-8-[3-[[2-(methylthio)phenoxy]methyl]phenyl]quinoline Formula: C27H27NO3S2 MolecularWeight: 477.63818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)COC4=CC=CC=C4SC)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)COC4=CC=CC=C4SC)S(=O)(=O)C

InChI

InChI=1S/C27H27NO3S2/c1-27(2,33(4,29)30)22-16-21-11-8-14-28-26(21)23(17-22)20-10-7-9-19(15-20)18-31-24-12-5-6-13-25(24)32-3/h5-17H,18H2,1-4H3