4-[[3-azanyl-2,4,5-tris(fluoranyl)phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 4-[[3-azanyl-2,4,5-tris(fluoranyl)phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 4-[(3-amino-2,4,5-trifluoro-benzoyl)amino]benzenesulfonic acid CAS Name: 4-[[(3-amino-2,4,5-trifluorophenyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-[(3-amino-2,4,5-trifluorobenzoyl)amino]benzenesulfonic acid Traditional Name: 4-[(3-amino-2,4,5-trifluoro-benzoyl)amino]besylic acid Formula: C13H9F3N2O4S MolecularWeight: 346.28177

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=C(C(=C2F)N)F)F)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=C(C(=C2F)N)F)F)S(=O)(=O)O

InChI

InChI=1S/C13H9F3N2O4S/c14-9-5-8(10(15)12(17)11(9)16)13(19)18-6-1-3-7(4-2-6)23(20,21)22/h1-5H,17H2,(H,18,19)(H,20,21,22)