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

Systemtic Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-4-fluoranyl-N-methyl-benzenesulfonamide Openeye Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]-4-fluoro-N-methyl-benzenesulfonamide CAS Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide IUPAC Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide Traditional Name: N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]-4-fluoro-N-methyl-benzenesulfonamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCCC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O5S/c1-24(31(27,28)19-8-6-18(23)7-9-19)11-4-5-22(26)25-12-10-16-13-20(29-2)21(30-3)14-17(16)15-25/h6-9,13-14H,4-5,10-12,15H2,1-3H3