4-oxidanylidene-3-[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]phthalazine-1-carboxylic acid Openeye Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-besylpiperazino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H22N4O6S MolecularWeight: 470.49828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C22H22N4O6S/c1-15(26-21(28)18-10-6-5-9-17(18)19(23-26)22(29)30)20(27)24-11-13-25(14-12-24)33(31,32)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,29,30)