methyl 4-[1,3-benzodioxol-5-ylmethyl-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate

Systemtic Name: methyl 4-[1,3-benzodioxol-5-ylmethyl-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate Openeye Name: methyl 4-[1,3-benzodioxol-5-ylmethyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate CAS Name: 4-[1,3-benzodioxol-5-ylmethyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-benzodioxol-5-ylmethyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate Traditional Name: 4-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl-piperonyl-sulfamoyl]benzoic acid methyl ester Formula: C28H26N2O7S MolecularWeight: 534.58024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)C(=O)OC)C

InChI

InChI=1S/C28H26N2O7S/c1-17-4-6-21-13-22(27(31)29-26(21)18(17)2)15-30(14-19-5-11-24-25(12-19)37-16-36-24)38(33,34)23-9-7-20(8-10-23)28(32)35-3/h4-13H,14-16H2,1-3H3,(H,29,31)