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

Systemtic Name: 4-bromanyl-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]benzenesulfonamide Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H23BrN2O5S/c1-27-18-11-14-8-10-23(13-15(14)12-19(18)28-2)20(24)7-9-22-29(25,26)17-5-3-16(21)4-6-17/h3-6,11-12,22H,7-10,13H2,1-2H3