4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: 4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]benzenesulfonamide CAS Name: 4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzenesulfonamide Traditional Name: 4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]benzenesulfonamide Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N)OC

InChI

InChI=1S/C20H24N2O5S/c1-26-18-11-15-9-10-22(13-16(15)12-19(18)27-2)20(23)8-5-14-3-6-17(7-4-14)28(21,24)25/h3-4,6-7,11-12H,5,8-10,13H2,1-2H3,(H2,21,24,25)