4-[3-(4-methylsulfonylphenoxy)phenyl]-3-(phenylmethyl)-8-(trifluoromethyl)quinoline

Systemtic Name: 4-[3-(4-methylsulfonylphenoxy)phenyl]-3-(phenylmethyl)-8-(trifluoromethyl)quinoline Openeye Name: 3-benzyl-4-[3-(4-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline CAS Name: 4-[3-(4-methylsulfonylphenoxy)phenyl]-3-(phenylmethyl)-8-(trifluoromethyl)quinoline IUPAC Name: 3-benzyl-4-[3-(4-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline Traditional Name: 3-benzyl-4-[3-(4-mesylphenoxy)phenyl]-8-(trifluoromethyl)quinoline Formula: C30H22F3NO3S MolecularWeight: 533.56079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C4C=CC=C(C4=NC=C3CC5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C4C=CC=C(C4=NC=C3CC5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C30H22F3NO3S/c1-38(35,36)25-15-13-23(14-16-25)37-24-10-5-9-21(18-24)28-22(17-20-7-3-2-4-8-20)19-34-29-26(28)11-6-12-27(29)30(31,32)33/h2-16,18-19H,17H2,1H3