(7-methoxy-6-methyl-5-phenylmethoxy-isoquinolin-1-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (7-methoxy-6-methyl-5-phenylmethoxy-isoquinolin-1-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-benzyloxy-7-methoxy-6-methyl-1-isoquinolyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (7-methoxy-6-methyl-5-phenylmethoxy-1-isoquinolinyl)methyl ester IUPAC Name: (7-methoxy-6-methyl-5-phenylmethoxyisoquinolin-1-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-benzoxy-7-methoxy-6-methyl-1-isoquinolyl)methyl ester Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC=CC3=C(C(=C(C=C32)OC)C)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC=CC3=C(C(=C(C=C32)OC)C)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25NO5S/c1-18-9-11-21(12-10-18)33(28,29)32-17-24-23-15-25(30-3)19(2)26(22(23)13-14-27-24)31-16-20-7-5-4-6-8-20/h4-15H,16-17H2,1-3H3