N-[[5-(4-methoxy-3-methyl-phenyl)isoquinolin-8-yl]methyl]-2-phenyl-ethenesulfonamide

Systemtic Name: N-[[5-(4-methoxy-3-methyl-phenyl)isoquinolin-8-yl]methyl]-2-phenyl-ethenesulfonamide Openeye Name: N-[[5-(4-methoxy-3-methyl-phenyl)-8-isoquinolyl]methyl]-2-phenyl-ethenesulfonamide CAS Name: N-[[5-(4-methoxy-3-methylphenyl)-8-isoquinolinyl]methyl]-2-phenylethenesulfonamide IUPAC Name: N-[[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl]-2-phenylethenesulfonamide Traditional Name: N-[[5-(4-methoxy-3-methyl-phenyl)-8-isoquinolyl]methyl]-2-phenyl-ethenesulfonamide Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C3C=CN=CC3=C(C=C2)CNS(=O)(=O)C=CC4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C3C=CN=CC3=C(C=C2)CNS(=O)(=O)C=CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H24N2O3S/c1-19-16-21(9-11-26(19)31-2)23-10-8-22(25-18-27-14-12-24(23)25)17-28-32(29,30)15-13-20-6-4-3-5-7-20/h3-16,18,28H,17H2,1-2H3