methyl 2-[6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[6,7-dimethoxy-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(6,7-dimethoxy-2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid methyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC

InChI

InChI=1S/C21H25NO6S/c1-14-5-7-16(8-6-14)29(24,25)22-10-9-15-11-19(26-2)20(27-3)12-17(15)18(22)13-21(23)28-4/h5-8,11-12,18H,9-10,13H2,1-4H3