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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]phthalazine-1-carboxylate Formula: C21H19N4O6S- MolecularWeight: 455.46376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C21H20N4O6S/c26-18(13-25-20(27)17-6-2-1-5-16(17)19(23-25)21(28)29)22-14-7-9-15(10-8-14)32(30,31)24-11-3-4-12-24/h1-2,5-10H,3-4,11-13H2,(H,22,26)(H,28,29)/p-1