6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

Systemtic Name: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide Openeye Name: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide CAS Name: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide IUPAC Name: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide Traditional Name: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)N)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)N)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H19N3O6S/c1-25-15-9-11-6-7-19(27(18,23)24)17(14(11)10-16(15)26-2)12-4-3-5-13(8-12)20(21)22/h3-5,8-10,17H,6-7H2,1-2H3,(H2,18,23,24)