[7-methoxy-2-[[3-(methylsulfonylamino)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate

Systemtic Name: [7-methoxy-2-[[3-(methylsulfonylamino)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate Openeye Name: [2-[[3-(methanesulfonamido)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate CAS Name: sulfamic acid [2-[[3-(methanesulfonamido)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] ester IUPAC Name: [2-[[3-(methanesulfonamido)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate Traditional Name: sulfamic acid [2-[3-(methanesulfonamido)benzyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] ester Formula: C18H23N3O6S2 MolecularWeight: 441.52172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN(CC2=C1)CC3=CC(=CC=C3)NS(=O)(=O)C)OS(=O)(=O)N

Isomeric SMILES

COC1=C(C=C2CCN(CC2=C1)CC3=CC(=CC=C3)NS(=O)(=O)C)OS(=O)(=O)N

InChI

InChI=1S/C18H23N3O6S2/c1-26-17-10-15-12-21(7-6-14(15)9-18(17)27-29(19,24)25)11-13-4-3-5-16(8-13)20-28(2,22)23/h3-5,8-10,20H,6-7,11-12H2,1-2H3,(H2,19,24,25)