[2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenyl]-(4-methoxy-3-methyl-phenyl)sulfonyl-azanide

Systemtic Name: [2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenyl]-(4-methoxy-3-methyl-phenyl)sulfonyl-azanide Openeye Name: [2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenyl]-(4-methoxy-3-methyl-phenyl)sulfonyl-azanide CAS Name: [2-[(6,7-dimethoxy-1-isoquinolin-2-iumyl)methyl]-4,5-dimethoxyphenyl]-(4-methoxy-3-methylphenyl)sulfonylazanide IUPAC Name: [2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxyphenyl]-(4-methoxy-3-methylphenyl)sulfonylazanide Traditional Name: [2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenyl]-(4-methoxy-3-methyl-phenyl)sulfonyl-azanide Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)[N-]C2=CC(=C(C=C2CC3=[NH+]C=CC4=CC(=C(C=C43)OC)OC)OC)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[N-]C2=CC(=C(C=C2CC3=[NH+]C=CC4=CC(=C(C=C43)OC)OC)OC)OC)OC

InChI

InChI=1S/C28H29N2O7S/c1-17-11-20(7-8-24(17)33-2)38(31,32)30-22-16-28(37-6)26(35-4)14-19(22)12-23-21-15-27(36-5)25(34-3)13-18(21)9-10-29-23/h7-11,13-16H,12H2,1-6H3/q-1/p+1