4-oxidanylidene-3-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-(3-sulfamoylanilino)ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-(3-sulfamoylanilino)ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-(3-sulfamoylanilino)ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(3-sulfamoylanilino)ethyl]phthalazine-1-carboxylic acid Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C17H14N4O6S/c18-28(26,27)11-5-3-4-10(8-11)19-14(22)9-21-16(23)13-7-2-1-6-12(13)15(20-21)17(24)25/h1-8H,9H2,(H,19,22)(H,24,25)(H2,18,26,27)