[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 2-chloro-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate CAS Name: 2-chloro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 2-chloro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate Traditional Name: 2-chloro-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C22H17BrClN3O8S MolecularWeight: 598.80768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H17BrClN3O8S/c1-34-20-8-5-15(27(30)31)10-19(20)26-36(32,33)16-6-7-18(24)17(11-16)22(29)35-12-21(28)25-14-4-2-3-13(23)9-14/h2-11,26H,12H2,1H3,(H,25,28)