[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: [1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-1-oxopropan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H17BrN2O7S MolecularWeight: 533.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17BrN2O7S/c1-14(21(26)15-9-11-16(23)12-10-15)32-22(27)19-7-2-3-8-20(19)24-33(30,31)18-6-4-5-17(13-18)25(28)29/h2-14,24H,1H3