3-[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H21ClN4O6S MolecularWeight: 504.94334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O6S/c23-17-9-8-14(34(32,33)26-10-4-1-5-11-26)12-18(17)24-19(28)13-27-21(29)16-7-3-2-6-15(16)20(25-27)22(30)31/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,24,28)(H,30,31)