3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H19FN4O6S MolecularWeight: 474.462163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C21H19FN4O6S/c22-14-4-3-5-15(12-14)33(31,32)25-10-8-24(9-11-25)18(27)13-26-20(28)17-7-2-1-6-16(17)19(23-26)21(29)30/h1-7,12H,8-11,13H2,(H,29,30)