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

Systemtic Name: 3-[4-(2-methyl-4-oxidanyl-6-pyridin-3-yl-hexan-3-yl)oxyphenyl]benzenesulfonic acid Openeye Name: 3-[4-[2-hydroxy-1-isopropyl-4-(3-pyridyl)butoxy]phenyl]benzenesulfonic acid CAS Name: 3-[4-[4-hydroxy-2-methyl-6-(3-pyridinyl)hexan-3-yl]oxyphenyl]benzenesulfonic acid IUPAC Name: 3-[4-(4-hydroxy-2-methyl-6-pyridin-3-ylhexan-3-yl)oxyphenyl]benzenesulfonic acid Traditional Name: 3-[4-[2-hydroxy-1-isopropyl-4-(3-pyridyl)butoxy]phenyl]besylic acid Formula: C24H27NO5S MolecularWeight: 441.53988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5S/c1-17(2)24(23(26)13-8-18-5-4-14-25-16-18)30-21-11-9-19(10-12-21)20-6-3-7-22(15-20)31(27,28)29/h3-7,9-12,14-17,23-24,26H,8,13H2,1-2H3,(H,27,28,29)