N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-4-morpholinosulfonyl-benzamide Formula: C31H33N3O8S MolecularWeight: 607.67402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)OC)OC)OC

InChI

InChI=1S/C31H33N3O8S/c1-38-27-16-21-9-10-32-26(24(21)18-29(27)40-3)15-22-17-28(39-2)30(41-4)19-25(22)33-31(35)20-5-7-23(8-6-20)43(36,37)34-11-13-42-14-12-34/h5-10,16-19H,11-15H2,1-4H3,(H,33,35)