ethyl 4-[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate CAS Name: 4-[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate Traditional Name: 4-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-piperonyl-sulfamoyl]benzoic acid ethyl ester Formula: C29H28N2O7S MolecularWeight: 548.60682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

InChI

InChI=1S/C29H28N2O7S/c1-4-36-29(33)21-6-8-24(9-7-21)39(34,35)31(15-20-5-10-26-27(13-20)38-17-37-26)16-23-14-22-11-18(2)19(3)12-25(22)30-28(23)32/h5-14H,4,15-17H2,1-3H3,(H,30,32)