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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(4-piperidinosulfonylanilino)ethyl]phthalazine-1-carboxylic acid Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C22H22N4O6S/c27-19(14-26-21(28)18-7-3-2-6-17(18)20(24-26)22(29)30)23-15-8-10-16(11-9-15)33(31,32)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-14H2,(H,23,27)(H,29,30)