[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(methylsulfamoyl)benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(methylsulfamoyl)benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-(methylsulfamoyl)benzoate CAS Name: 3-(methylsulfamoyl)benzoic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 3-(methylsulfamoyl)benzoate Traditional Name: 3-(methylsulfamoyl)benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H18BrN3O7S MolecularWeight: 548.36322

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C22H18BrN3O7S/c1-24-34(31,32)17-9-5-8-15(12-17)22(28)33-20(14-6-3-2-4-7-14)21(27)25-19-11-10-16(26(29)30)13-18(19)23/h2-13,20,24H,1H3,(H,25,27)