N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-(methylthio)-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-(methylthio)-1,3-benzothiazole-6-sulfonamide Formula: C28H27N3O6S3 MolecularWeight: 597.72548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NS(=O)(=O)C4=CC5=C(C=C4)N=C(S5)SC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NS(=O)(=O)C4=CC5=C(C=C4)N=C(S5)SC)OC)OC)OC

InChI

InChI=1S/C28H27N3O6S3/c1-34-23-11-16-8-9-29-22(19(16)14-25(23)36-3)10-17-12-24(35-2)26(37-4)15-21(17)31-40(32,33)18-6-7-20-27(13-18)39-28(30-20)38-5/h6-9,11-15,31H,10H2,1-5H3