3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-4-morpholin-4-yl-benzenesulfonamide

Systemtic Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-4-morpholin-4-yl-benzenesulfonamide Openeye Name: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-morpholino-benzenesulfonamide CAS Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-4-(4-morpholinyl)benzenesulfonamide IUPAC Name: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-morpholin-4-ylbenzenesulfonamide Traditional Name: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-morpholino-benzenesulfonamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N)N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N)N4CCOCC4)OC

InChI

InChI=1S/C22H27N3O6S/c1-29-20-11-15-5-6-25(14-16(15)12-21(20)30-2)22(26)18-13-17(32(23,27)28)3-4-19(18)24-7-9-31-10-8-24/h3-4,11-13H,5-10,14H2,1-2H3,(H2,23,27,28)