[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 2-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 2-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C22H18BrN3O7S MolecularWeight: 548.36322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H18BrN3O7S/c1-14-9-10-17(12-20(14)26(29)30)34(31,32)25-19-8-3-2-7-18(19)22(28)33-13-21(27)24-16-6-4-5-15(23)11-16/h2-12,25H,13H2,1H3,(H,24,27)