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

Systemtic Name: 3-methyl-4-[3-[3-(3-methylbutylsulfonyl)phenoxy]phenyl]-8-(trifluoromethyl)quinoline Openeye Name: 4-[3-(3-isopentylsulfonylphenoxy)phenyl]-3-methyl-8-(trifluoromethyl)quinoline CAS Name: 3-methyl-4-[3-[3-(3-methylbutylsulfonyl)phenoxy]phenyl]-8-(trifluoromethyl)quinoline IUPAC Name: 3-methyl-4-[3-[3-(3-methylbutylsulfonyl)phenoxy]phenyl]-8-(trifluoromethyl)quinoline Traditional Name: 4-[3-(3-isoamylsulfonylphenoxy)phenyl]-3-methyl-8-(trifluoromethyl)quinoline Formula: C28H26F3NO3S MolecularWeight: 513.57115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26F3NO3S/c1-18(2)13-14-36(33,34)23-10-5-9-22(16-23)35-21-8-4-7-20(15-21)26-19(3)17-32-27-24(26)11-6-12-25(27)28(29,30)31/h4-12,15-18H,13-14H2,1-3H3