(4-acetamidophenyl)sulfonyl-[2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenyl]azanide

Systemtic Name: (4-acetamidophenyl)sulfonyl-[2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenyl]azanide Openeye Name: (4-acetamidophenyl)sulfonyl-[2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenyl]azanide CAS Name: (4-acetamidophenyl)sulfonyl-[2-[(6,7-dimethoxy-1-isoquinolin-2-iumyl)methyl]-4,5-dimethoxyphenyl]azanide IUPAC Name: (4-acetamidophenyl)sulfonyl-[2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxyphenyl]azanide Traditional Name: (4-acetamidophenyl)sulfonyl-[2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenyl]azanide Formula: C28H29N3O7S MolecularWeight: 551.61076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=CC(=C(C=C2CC3=[NH+]C=CC4=CC(=C(C=C43)OC)OC)OC)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=CC(=C(C=C2CC3=[NH+]C=CC4=CC(=C(C=C43)OC)OC)OC)OC

InChI

InChI=1S/C28H28N3O7S/c1-17(32)30-20-6-8-21(9-7-20)39(33,34)31-23-16-28(38-5)26(36-3)14-19(23)12-24-22-15-27(37-4)25(35-2)13-18(22)10-11-29-24/h6-11,13-16H,12H2,1-5H3,(H,30,32)/q-1/p+1