5-[3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]sulfonylpentan-1-ol

Systemtic Name: 5-[3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]sulfonylpentan-1-ol Openeye Name: 5-[3-[3-[3-methyl-8-(trifluoromethyl)-4-quinolyl]phenoxy]phenyl]sulfonylpentan-1-ol CAS Name: 5-[3-[3-[3-methyl-8-(trifluoromethyl)-4-quinolinyl]phenoxy]phenyl]sulfonyl-1-pentanol IUPAC Name: 5-[3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]sulfonylpentan-1-ol Traditional Name: 5-[3-[3-[3-methyl-8-(trifluoromethyl)-4-quinolyl]phenoxy]phenyl]sulfonylpentan-1-ol Formula: C28H26F3NO4S MolecularWeight: 529.57055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1C3=CC(=CC=C3)OC4=CC(=CC=C4)S(=O)(=O)CCCCCO)C=CC=C2C(F)(F)F

Isomeric SMILES

CC1=CN=C2C(=C1C3=CC(=CC=C3)OC4=CC(=CC=C4)S(=O)(=O)CCCCCO)C=CC=C2C(F)(F)F

InChI

InChI=1S/C28H26F3NO4S/c1-19-18-32-27-24(12-7-13-25(27)28(29,30)31)26(19)20-8-5-9-21(16-20)36-22-10-6-11-23(17-22)37(34,35)15-4-2-3-14-33/h5-13,16-18,33H,2-4,14-15H2,1H3