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

Systemtic Name: methyl 2-[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate Openeye Name: methyl 2-[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate Traditional Name: 2-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-piperonyl-sulfamoyl]benzoic acid methyl ester Formula: C28H26N2O9S MolecularWeight: 566.57904

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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=C5C(=O)OC)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=C5C(=O)OC)OC

InChI

InChI=1S/C28H26N2O9S/c1-35-23-12-18-11-19(27(31)29-21(18)13-24(23)36-2)15-30(14-17-8-9-22-25(10-17)39-16-38-22)40(33,34)26-7-5-4-6-20(26)28(32)37-3/h4-13H,14-16H2,1-3H3,(H,29,31)