2-bromanyl-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide

Systemtic Name: 2-bromanyl-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide Openeye Name: 2-bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide CAS Name: 2-bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide IUPAC Name: 2-bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide Traditional Name: 2-bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide Formula: C21H27BrN2O4S MolecularWeight: 483.41908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCCCNS(=O)(=O)C3=CC=CC=C3Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCCCNS(=O)(=O)C3=CC=CC=C3Br)OC

InChI

InChI=1S/C21H27BrN2O4S/c1-27-19-13-16-9-12-24(15-17(16)14-20(19)28-2)11-6-5-10-23-29(25,26)21-8-4-3-7-18(21)22/h3-4,7-8,13-14,23H,5-6,9-12,15H2,1-2H3