N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-nitro-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-2-nitro-N-piperonyl-benzenesulfonamide Formula: C26H23N3O9S MolecularWeight: 553.54052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-])OC

InChI

InChI=1S/C26H23N3O9S/c1-35-22-11-17-10-18(26(30)27-19(17)12-23(22)36-2)14-28(13-16-7-8-21-24(9-16)38-15-37-21)39(33,34)25-6-4-3-5-20(25)29(31)32/h3-12H,13-15H2,1-2H3,(H,27,30)