2-acetamido-5-[[(3-carboxyphenyl)sulfonylamino]sulfamoyl]benzoic acid

Systemtic Name: 2-acetamido-5-[[(3-carboxyphenyl)sulfonylamino]sulfamoyl]benzoic acid Openeye Name: 2-acetamido-5-[[(3-carboxyphenyl)sulfonylamino]sulfamoyl]benzoic acid CAS Name: 2-acetamido-5-[[(3-carboxyphenyl)sulfonylamino]sulfamoyl]benzoic acid IUPAC Name: 2-acetamido-5-[[(3-carboxyphenyl)sulfonylamino]sulfamoyl]benzoic acid Traditional Name: 2-acetamido-5-[[(3-carboxyphenyl)sulfonylamino]sulfamoyl]benzoic acid Formula: C16H15N3O9S2 MolecularWeight: 457.435

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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)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)C(=O)O

InChI

InChI=1S/C16H15N3O9S2/c1-9(20)17-14-6-5-12(8-13(14)16(23)24)30(27,28)19-18-29(25,26)11-4-2-3-10(7-11)15(21)22/h2-8,18-19H,1H3,(H,17,20)(H,21,22)(H,23,24)