3-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]-5-(trifluoromethyl)benzenesulfonic acid

Systemtic Name: 3-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]-5-(trifluoromethyl)benzenesulfonic acid Openeye Name: 3-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]-5-(trifluoromethyl)benzenesulfonic acid CAS Name: 3-[4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]-5-(trifluoromethyl)benzenesulfonic acid IUPAC Name: 3-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-5-(trifluoromethyl)benzenesulfonic acid Traditional Name: 3-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]-5-(trifluoromethyl)besylic acid Formula: C23H22F3NO5S MolecularWeight: 481.48469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CN=CC=C1)O)OC2=CC=C(C=C2)C3=CC(=CC(=C3)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

CC(C(CCC1=CN=CC=C1)O)OC2=CC=C(C=C2)C3=CC(=CC(=C3)S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C23H22F3NO5S/c1-15(22(28)9-4-16-3-2-10-27-14-16)32-20-7-5-17(6-8-20)18-11-19(23(24,25)26)13-21(12-18)33(29,30)31/h2-3,5-8,10-15,22,28H,4,9H2,1H3,(H,29,30,31)