2-acetamido-5-[[(4-acetamido-3-carboxy-phenyl)sulfonylamino]sulfamoyl]benzoic acid

Systemtic Name: 2-acetamido-5-[[(4-acetamido-3-carboxy-phenyl)sulfonylamino]sulfamoyl]benzoic acid Openeye Name: 2-acetamido-5-[[(4-acetamido-3-carboxy-phenyl)sulfonylamino]sulfamoyl]benzoic acid CAS Name: 2-acetamido-5-[[(4-acetamido-3-carboxyphenyl)sulfonylamino]sulfamoyl]benzoic acid IUPAC Name: 2-acetamido-5-[[(4-acetamido-3-carboxyphenyl)sulfonylamino]sulfamoyl]benzoic acid Traditional Name: 2-acetamido-5-[[(4-acetamido-3-carboxy-phenyl)sulfonylamino]sulfamoyl]benzoic acid Formula: C18H18N4O10S2 MolecularWeight: 514.48632

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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(=C(C=C2)NC(=O)C)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O10S2/c1-9(23)19-15-5-3-11(7-13(15)17(25)26)33(29,30)21-22-34(31,32)12-4-6-16(20-10(2)24)14(8-12)18(27)28/h3-8,21-22H,1-2H3,(H,19,23)(H,20,24)(H,25,26)(H,27,28)