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

Systemtic Name: 4-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]benzenesulfonic acid Openeye Name: 4-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]benzenesulfonic acid CAS Name: 4-[4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]benzenesulfonic acid IUPAC Name: 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzenesulfonic acid Traditional Name: 4-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]besylic acid Formula: C22H23NO5S MolecularWeight: 413.48672

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S/c1-16(22(24)13-4-17-3-2-14-23-15-17)28-20-9-5-18(6-10-20)19-7-11-21(12-8-19)29(25,26)27/h2-3,5-12,14-16,22,24H,4,13H2,1H3,(H,25,26,27)