N-(1,3-benzodioxol-5-ylmethyl)-4-bromanyl-N-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-bromanyl-N-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide Traditional Name: 4-bromo-N-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-N-piperonyl-benzenesulfonamide Formula: C26H23BrN2O7S MolecularWeight: 587.43902

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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=C(C=C5)Br)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=C(C=C5)Br)OC

InChI

InChI=1S/C26H23BrN2O7S/c1-33-23-11-17-10-18(26(30)28-21(17)12-24(23)34-2)14-29(37(31,32)20-6-4-19(27)5-7-20)13-16-3-8-22-25(9-16)36-15-35-22/h3-12H,13-15H2,1-2H3,(H,28,30)