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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]phthalazine-1-carboxylic acid Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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