N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]pyrrolidine-2-carboxamide Formula: C31H33N3O7S MolecularWeight: 591.67462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4CCCN4S(=O)(=O)C5=CC=CC=C5)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4CCCN4S(=O)(=O)C5=CC=CC=C5)OC)OC)OC

InChI

InChI=1S/C31H33N3O7S/c1-38-27-16-20-12-13-32-25(23(20)18-29(27)40-3)15-21-17-28(39-2)30(41-4)19-24(21)33-31(35)26-11-8-14-34(26)42(36,37)22-9-6-5-7-10-22/h5-7,9-10,12-13,16-19,26H,8,11,14-15H2,1-4H3,(H,33,35)