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

Systemtic Name: N-[[2-fluoranyl-5-[6-(methylsulfonylmethyl)quinolin-8-yl]phenyl]methyl]-4-methylsulfonyl-aniline Openeye Name: N-[[2-fluoro-5-[6-(methylsulfonylmethyl)-8-quinolyl]phenyl]methyl]-4-methylsulfonyl-aniline CAS Name: N-[[2-fluoro-5-[6-(methylsulfonylmethyl)-8-quinolinyl]phenyl]methyl]-4-methylsulfonylaniline IUPAC Name: N-[[2-fluoro-5-[6-(methylsulfonylmethyl)quinolin-8-yl]phenyl]methyl]-4-methylsulfonylaniline Traditional Name: [2-fluoro-5-[6-(mesylmethyl)-8-quinolyl]benzyl]-(4-mesylphenyl)amine Formula: C25H23FN2O4S2 MolecularWeight: 498.589523

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC(=C2C(=C1)C=CC=N2)C3=CC(=C(C=C3)F)CNC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)CC1=CC(=C2C(=C1)C=CC=N2)C3=CC(=C(C=C3)F)CNC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H23FN2O4S2/c1-33(29,30)16-17-12-19-4-3-11-27-25(19)23(13-17)18-5-10-24(26)20(14-18)15-28-21-6-8-22(9-7-21)34(2,31)32/h3-14,28H,15-16H2,1-2H3