2-oxidanyl-5-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylsulfamoyl]benzoic acid

Systemtic Name: 2-oxidanyl-5-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylsulfamoyl]benzoic acid Openeye Name: 2-hydroxy-5-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylsulfamoyl]benzoic acid CAS Name: 2-hydroxy-5-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylsulfamoyl]benzoic acid IUPAC Name: 2-hydroxy-5-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylsulfamoyl]benzoic acid Traditional Name: 2-hydroxy-5-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylsulfamoyl]benzoic acid Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C18H18N4O6S/c23-15-7-6-11(10-14(15)18(25)26)29(27,28)20-9-3-8-19-16-12-4-1-2-5-13(12)17(24)22-21-16/h1-2,4-7,10,20,23H,3,8-9H2,(H,19,21)(H,22,24)(H,25,26)