2-acetamido-5-[[(3-carboxy-5-chloranyl-phenyl)sulfonylamino]sulfamoyl]benzoic acid

Systemtic Name: 2-acetamido-5-[[(3-carboxy-5-chloranyl-phenyl)sulfonylamino]sulfamoyl]benzoic acid Openeye Name: 2-acetamido-5-[[(3-carboxy-5-chloro-phenyl)sulfonylamino]sulfamoyl]benzoic acid CAS Name: 2-acetamido-5-[[(3-carboxy-5-chlorophenyl)sulfonylamino]sulfamoyl]benzoic acid IUPAC Name: 2-acetamido-5-[[(3-carboxy-5-chlorophenyl)sulfonylamino]sulfamoyl]benzoic acid Traditional Name: 2-acetamido-5-[[(3-carboxy-5-chloro-phenyl)sulfonylamino]sulfamoyl]benzoic acid Formula: C16H14ClN3O9S2 MolecularWeight: 491.88006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NNS(=O)(=O)C2=CC(=CC(=C2)C(=O)O)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NNS(=O)(=O)C2=CC(=CC(=C2)C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C16H14ClN3O9S2/c1-8(21)18-14-3-2-11(7-13(14)16(24)25)30(26,27)19-20-31(28,29)12-5-9(15(22)23)4-10(17)6-12/h2-7,19-20H,1H3,(H,18,21)(H,22,23)(H,24,25)