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

Systemtic Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzenesulfonamide Openeye Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzenesulfonamide CAS Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzenesulfonamide IUPAC Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzenesulfonamide Traditional Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzenesulfonamide Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6S2/c1-24-16-8-12-6-7-19(11-13(12)9-17(16)25-2)27(22,23)15-5-3-4-14(10-15)26(18,20)21/h3-5,8-10H,6-7,11H2,1-2H3,(H2,18,20,21)