3-[[4-[(5-bromanylfuran-2-yl)carbonylamino]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[4-[(5-bromanylfuran-2-yl)carbonylamino]phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[4-[(5-bromofuran-2-carbonyl)amino]phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[4-[[(5-bromo-2-furanyl)-oxomethyl]amino]phenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[4-[(5-bromofuran-2-carbonyl)amino]phenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[4-[(5-bromo-2-furoyl)amino]phenyl]sulfonylamino]benzoic acid Formula: C18H13BrN2O6S MolecularWeight: 465.27462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br)C(=O)O

InChI

InChI=1S/C18H13BrN2O6S/c19-16-9-8-15(27-16)17(22)20-12-4-6-14(7-5-12)28(25,26)21-13-3-1-2-11(10-13)18(23)24/h1-10,21H,(H,20,22)(H,23,24)