3-[[4-bromanyl-3-(diethylsulfamoyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-bromanyl-3-(diethylsulfamoyl)phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-bromo-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid CAS Name: 3-[[[4-bromo-3-(diethylsulfamoyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-bromo-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid Traditional Name: 3-[[4-bromo-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)Br

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(8-9-15(16)19)17(22)20-14-7-5-6-13(10-14)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)