N-[(3,4-dimethoxyphenyl)-(6-methoxy-7-oxidanyl-isoquinolin-1-yl)methyl]naphthalene-2-sulfonamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)-(6-methoxy-7-oxidanyl-isoquinolin-1-yl)methyl]naphthalene-2-sulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)-(7-hydroxy-6-methoxy-1-isoquinolyl)methyl]naphthalene-2-sulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)-(7-hydroxy-6-methoxy-1-isoquinolinyl)methyl]-2-naphthalenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)-(7-hydroxy-6-methoxyisoquinolin-1-yl)methyl]naphthalene-2-sulfonamide Traditional Name: N-[(3,4-dimethoxyphenyl)-(7-hydroxy-6-methoxy-1-isoquinolyl)methyl]naphthalene-2-sulfonamide Formula: C29H26N2O6S MolecularWeight: 530.59154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)O)OC)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)O)OC)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)OC

InChI

InChI=1S/C29H26N2O6S/c1-35-25-11-9-21(16-27(25)37-3)28(29-23-17-24(32)26(36-2)15-20(23)12-13-30-29)31-38(33,34)22-10-8-18-6-4-5-7-19(18)14-22/h4-17,28,31-32H,1-3H3