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

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

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC(=C5)C(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC(=C5)C(=O)OCC

InChI

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