5-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2-methyl-benzenesulfonamide Openeye Name: 5-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-benzenesulfonamide CAS Name: 5-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-2-methylbenzenesulfonamide IUPAC Name: 5-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylbenzenesulfonamide Traditional Name: 5-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-benzenesulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N)OCC

InChI

InChI=1S/C21H26N2O5S/c1-4-27-18-10-15-8-9-23(13-17(15)11-19(18)28-5-2)21(24)16-7-6-14(3)20(12-16)29(22,25)26/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H2,22,25,26)