N-[[5-(3,4-dimethoxyphenyl)isoquinolin-8-yl]methyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)isoquinolin-8-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolyl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolinyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[5-(3,4-dimethoxyphenyl)isoquinolin-8-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolyl]methyl]-1-phenyl-methanesulfonamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNS(=O)(=O)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNS(=O)(=O)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H24N2O4S/c1-30-24-11-9-19(14-25(24)31-2)21-10-8-20(23-16-26-13-12-22(21)23)15-27-32(28,29)17-18-6-4-3-5-7-18/h3-14,16,27H,15,17H2,1-2H3