[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfamoyl]benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfamoyl]benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-[(4-bromophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-bromophenyl)sulfamoyl]benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-[(4-bromophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-bromophenyl)sulfamoyl]benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C23H19BrN2O7S MolecularWeight: 547.37516

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H19BrN2O7S/c24-17-5-7-18(8-6-17)26-34(29,30)19-3-1-2-16(11-19)23(28)31-13-22(27)25-12-15-4-9-20-21(10-15)33-14-32-20/h1-11,26H,12-14H2,(H,25,27)