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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 4-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C23H19N3O9S MolecularWeight: 513.47666

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O9S/c27-22(24-12-15-4-9-20-21(10-15)35-14-34-20)13-33-23(28)16-5-7-17(8-6-16)25-36(31,32)19-3-1-2-18(11-19)26(29)30/h1-11,25H,12-14H2,(H,24,27)