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

Systemtic Name: 2-fluoranyl-4-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]benzenesulfonic acid Openeye Name: 2-fluoro-4-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]benzenesulfonic acid CAS Name: 2-fluoro-4-[4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]benzenesulfonic acid IUPAC Name: 2-fluoro-4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzenesulfonic acid Traditional Name: 2-fluoro-4-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]besylic acid Formula: C22H22FNO5S MolecularWeight: 431.477183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO5S/c1-15(21(25)10-4-16-3-2-12-24-14-16)29-19-8-5-17(6-9-19)18-7-11-22(20(23)13-18)30(26,27)28/h2-3,5-9,11-15,21,25H,4,10H2,1H3,(H,26,27,28)