[2-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)carbonyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)carbonyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(6-benzyloxy-7-methoxy-3,4-dihydroisoquinoline-1-carbonyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-oxomethyl]phenyl] ester IUPAC Name: [2-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline-1-carbonyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(6-benzoxy-7-methoxy-3,4-dihydroisoquinoline-1-carbonyl)phenyl] ester Formula: C31H27NO6S MolecularWeight: 541.61418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C3=NCCC4=CC(=C(C=C43)OC)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C3=NCCC4=CC(=C(C=C43)OC)OCC5=CC=CC=C5

InChI

InChI=1S/C31H27NO6S/c1-21-12-14-24(15-13-21)39(34,35)38-27-11-7-6-10-25(27)31(33)30-26-19-28(36-2)29(18-23(26)16-17-32-30)37-20-22-8-4-3-5-9-22/h3-15,18-19H,16-17,20H2,1-2H3