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

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide Openeye Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide Traditional Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3-keto-4H-1,4-benzoxazine-6-sulfonamide Formula: C28H27N3O8S MolecularWeight: 565.59428

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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)OCC(=O)N5)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NS(=O)(=O)C4=CC5=C(C=C4)OCC(=O)N5)OC)OC)OC

InChI

InChI=1S/C28H27N3O8S/c1-35-24-10-16-7-8-29-21(19(16)13-26(24)37-3)9-17-11-25(36-2)27(38-4)14-20(17)31-40(33,34)18-5-6-23-22(12-18)30-28(32)15-39-23/h5-8,10-14,31H,9,15H2,1-4H3,(H,30,32)