methyl 4-[1,3-benzodioxol-5-ylmethyl-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate

Systemtic Name: methyl 4-[1,3-benzodioxol-5-ylmethyl-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate Openeye Name: methyl 4-[1,3-benzodioxol-5-ylmethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate CAS Name: 4-[1,3-benzodioxol-5-ylmethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-benzodioxol-5-ylmethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate Traditional Name: 4-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl-piperonyl-sulfamoyl]benzoic acid methyl ester Formula: C27H24N2O8S MolecularWeight: 536.55306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C27H24N2O8S/c1-34-21-6-9-23-19(13-21)12-20(26(30)28-23)15-29(14-17-3-10-24-25(11-17)37-16-36-24)38(32,33)22-7-4-18(5-8-22)27(31)35-2/h3-13H,14-16H2,1-2H3,(H,28,30)