3-methyl-4-[3-[3-(2-methylpropylsulfonyl)phenoxy]phenyl]-8-(trifluoromethyl)quinoline

Systemtic Name: 3-methyl-4-[3-[3-(2-methylpropylsulfonyl)phenoxy]phenyl]-8-(trifluoromethyl)quinoline Openeye Name: 4-[3-(3-isobutylsulfonylphenoxy)phenyl]-3-methyl-8-(trifluoromethyl)quinoline CAS Name: 3-methyl-4-[3-[3-(2-methylpropylsulfonyl)phenoxy]phenyl]-8-(trifluoromethyl)quinoline IUPAC Name: 3-methyl-4-[3-[3-(2-methylpropylsulfonyl)phenoxy]phenyl]-8-(trifluoromethyl)quinoline Traditional Name: 4-[3-(3-isobutylsulfonylphenoxy)phenyl]-3-methyl-8-(trifluoromethyl)quinoline Formula: C27H24F3NO3S MolecularWeight: 499.54457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24F3NO3S/c1-17(2)16-35(32,33)22-10-5-9-21(14-22)34-20-8-4-7-19(13-20)25-18(3)15-31-26-23(25)11-6-12-24(26)27(28,29)30/h4-15,17H,16H2,1-3H3