2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-methyl-phenoxy]ethyl methanesulfonate

Systemtic Name: 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-methyl-phenoxy]ethyl methanesulfonate Openeye Name: 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-methyl-phenoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylamino]-oxomethyl]-4-methylphenoxy]ethyl ester IUPAC Name: 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-methylphenoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-methyl-phenoxy]ethyl ester Formula: C26H36N2O7S MolecularWeight: 520.63824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCOS(=O)(=O)C)C(=O)NCCCCN2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCCOS(=O)(=O)C)C(=O)NCCCCN2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C26H36N2O7S/c1-19-7-8-23(34-13-14-35-36(4,30)31)22(15-19)26(29)27-10-5-6-11-28-12-9-20-16-24(32-2)25(33-3)17-21(20)18-28/h7-8,15-17H,5-6,9-14,18H2,1-4H3,(H,27,29)