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

Systemtic Name: methyl 2-[2-(4-acetamidophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-(4-acetamidophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-acetamidophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-acetamidophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-acetamidophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC

InChI

InChI=1S/C22H26N2O7S/c1-14(25)23-16-5-7-17(8-6-16)32(27,28)24-10-9-15-11-20(29-2)21(30-3)12-18(15)19(24)13-22(26)31-4/h5-8,11-12,19H,9-10,13H2,1-4H3,(H,23,25)