[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 2-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 2-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C21H17BrN2O7S2 MolecularWeight: 553.40288

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C21H17BrN2O7S2/c22-18-7-8-20(32-18)33(27,28)24-15-4-2-1-3-14(15)21(26)29-11-19(25)23-10-13-5-6-16-17(9-13)31-12-30-16/h1-9,24H,10-12H2,(H,23,25)