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

Systemtic Name: 3-[4-[(2S,3R)-3-oxidanyl-5-pyridin-3-yl-pentan-2-yl]oxyphenyl]benzenesulfonic acid Openeye Name: 3-[4-[(1S,2R)-2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]benzenesulfonic acid CAS Name: 3-[4-[(2S,3R)-3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]benzenesulfonic acid IUPAC Name: 3-[4-[(2S,3R)-3-hydroxy-5-pyridin-3-ylpentan-2-yl]oxyphenyl]benzenesulfonic acid Traditional Name: 3-[4-[(1S,2R)-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(=CC=C3)S(=O)(=O)O

Isomeric SMILES

C[C@@H]([C@@H](CCC1=CN=CC=C1)O)OC2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C22H23NO5S/c1-16(22(24)12-7-17-4-3-13-23-15-17)28-20-10-8-18(9-11-20)19-5-2-6-21(14-19)29(25,26)27/h2-6,8-11,13-16,22,24H,7,12H2,1H3,(H,25,26,27)/t16-,22+/m0/s1