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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=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=CC(=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)25-13-6-12-24(18-25)37-23-11-5-10-21(17-23)28-22(16-20-8-3-2-4-9-20)19-34-29-26(28)14-7-15-27(29)30(31,32)33/h2-15,17-19H,16H2,1H3