1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonyl-propan-1-one

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-tosyl-propan-1-one Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C21H25NO5S/c1-15-4-6-18(7-5-15)28(24,25)11-9-21(23)22-10-8-16-12-19(26-2)20(27-3)13-17(16)14-22/h4-7,12-13H,8-11,14H2,1-3H3