methyl 3-[[5-[(3-bromanyl-4-methoxy-phenyl)sulfamoyl]-2-chloranyl-phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[5-[(3-bromanyl-4-methoxy-phenyl)sulfamoyl]-2-chloranyl-phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[5-[(3-bromo-4-methoxy-phenyl)sulfamoyl]-2-chloro-phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chloroanilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-[(3-bromo-4-methoxy-phenyl)sulfamoyl]-2-chloro-phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H17BrClN3O8S MolecularWeight: 598.80768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrClN3O8S/c1-34-20-6-3-14(10-17(20)23)26-36(32,33)16-4-5-18(24)19(11-16)25-21(28)12-7-13(22(29)35-2)9-15(8-12)27(30)31/h3-11,26H,1-2H3,(H,25,28)