4-[[4-bromanyl-3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-bromanyl-3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-bromo-3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[3-[anilino(oxo)methyl]-4-bromophenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-bromo-3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-bromo-3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid Formula: C20H15BrN2O5S MolecularWeight: 475.3125

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C20H15BrN2O5S/c21-18-11-10-16(12-17(18)19(24)22-14-4-2-1-3-5-14)29(27,28)23-15-8-6-13(7-9-15)20(25)26/h1-12,23H,(H,22,24)(H,25,26)