N-[[2-fluoranyl-5-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methyl]-4-methylsulfonyl-aniline

Systemtic Name: N-[[2-fluoranyl-5-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methyl]-4-methylsulfonyl-aniline Openeye Name: N-[[2-fluoro-5-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]methyl]-4-methylsulfonyl-aniline CAS Name: N-[[2-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]methyl]-4-methylsulfonylaniline IUPAC Name: N-[[2-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methyl]-4-methylsulfonylaniline Traditional Name: [2-fluoro-5-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzyl]-(4-mesylphenyl)amine Formula: C27H27FN2O4S2 MolecularWeight: 526.642683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=C(C=C3)F)CNC4=CC=C(C=C4)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=C(C=C3)F)CNC4=CC=C(C=C4)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C27H27FN2O4S2/c1-27(2,36(4,33)34)21-15-19-6-5-13-29-26(19)24(16-21)18-7-12-25(28)20(14-18)17-30-22-8-10-23(11-9-22)35(3,31)32/h5-16,30H,17H2,1-4H3