[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 4-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H15BrN2O7S MolecularWeight: 519.322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrN2O7S/c22-16-8-4-14(5-9-16)20(25)13-31-21(26)15-6-10-17(11-7-15)23-32(29,30)19-3-1-2-18(12-19)24(27)28/h1-12,23H,13H2