3-(phenylmethyl)-4-[3-(4-prop-2-enylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline

Systemtic Name: 3-(phenylmethyl)-4-[3-(4-prop-2-enylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline Openeye Name: 4-[3-(4-allylsulfonylphenoxy)phenyl]-3-benzyl-8-(trifluoromethyl)quinoline CAS Name: 3-(phenylmethyl)-4-[3-(4-prop-2-enylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline IUPAC Name: 3-benzyl-4-[3-(4-prop-2-enylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline Traditional Name: 4-[3-(4-allylsulfonylphenoxy)phenyl]-3-benzyl-8-(trifluoromethyl)quinoline Formula: C32H24F3NO3S MolecularWeight: 559.59807

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Descriptors Computed from Structure

Canonical SMILES:

C=CCS(=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

C=CCS(=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/C32H24F3NO3S/c1-2-18-40(37,38)27-16-14-25(15-17-27)39-26-11-6-10-23(20-26)30-24(19-22-8-4-3-5-9-22)21-36-31-28(30)12-7-13-29(31)32(33,34)35/h2-17,20-21H,1,18-19H2