(10-methoxy-3-oxidanyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-yl) 3-fluoranylbenzenesulfonate

Systemtic Name: (10-methoxy-3-oxidanyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-yl) 3-fluoranylbenzenesulfonate Openeye Name: (3-hydroxy-10-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-yl) 3-fluorobenzenesulfonate CAS Name: 3-fluorobenzenesulfonic acid (3-hydroxy-10-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-yl) ester IUPAC Name: (3-hydroxy-10-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-yl) 3-fluorobenzenesulfonate Traditional Name: 3-fluorobenzenesulfonic acid (3-hydroxy-10-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolin[2,1-b]isoquinolin-9-yl) ester Formula: C24H22FNO5S MolecularWeight: 455.498583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CC3C4=C(CCN3C2)C=C(C=C4)O)C=C1)OS(=O)(=O)C5=CC=CC(=C5)F

Isomeric SMILES

COC1=C(C2=C(CC3C4=C(CCN3C2)C=C(C=C4)O)C=C1)OS(=O)(=O)C5=CC=CC(=C5)F

InChI

InChI=1S/C24H22FNO5S/c1-30-23-8-5-15-12-22-20-7-6-18(27)11-16(20)9-10-26(22)14-21(15)24(23)31-32(28,29)19-4-2-3-17(25)13-19/h2-8,11,13,22,27H,9-10,12,14H2,1H3