2-fluoranyl-5-[4-(4-oxidanyl-6-pyridin-3-yl-hexan-3-yl)oxyphenyl]benzenesulfonic acid

Systemtic Name: 2-fluoranyl-5-[4-(4-oxidanyl-6-pyridin-3-yl-hexan-3-yl)oxyphenyl]benzenesulfonic acid Openeye Name: 5-[4-[1-ethyl-2-hydroxy-4-(3-pyridyl)butoxy]phenyl]-2-fluoro-benzenesulfonic acid CAS Name: 2-fluoro-5-[4-[4-hydroxy-6-(3-pyridinyl)hexan-3-yl]oxyphenyl]benzenesulfonic acid IUPAC Name: 2-fluoro-5-[4-(4-hydroxy-6-pyridin-3-ylhexan-3-yl)oxyphenyl]benzenesulfonic acid Traditional Name: 5-[4-[1-ethyl-2-hydroxy-4-(3-pyridyl)butoxy]phenyl]-2-fluoro-besylic acid Formula: C23H24FNO5S MolecularWeight: 445.503763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FNO5S/c1-2-22(21(26)12-5-16-4-3-13-25-15-16)30-19-9-6-17(7-10-19)18-8-11-20(24)23(14-18)31(27,28)29/h3-4,6-11,13-15,21-22,26H,2,5,12H2,1H3,(H,27,28,29)