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

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

CCC1=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

CCC1=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/C28H26N2O7S/c1-3-18-4-10-24-21(12-18)14-22(27(31)29-24)16-30(15-19-5-11-25-26(13-19)37-17-36-25)38(33,34)23-8-6-20(7-9-23)28(32)35-2/h4-14H,3,15-17H2,1-2H3,(H,29,31)