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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[2-oxo-2-(4-sulfamoylanilino)ethyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-oxo-2-(4-sulfamoylanilino)ethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(4-sulfamoylanilino)ethyl]phthalazine-1-carboxylate Formula: C17H13N4O6S- MolecularWeight: 401.37332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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