3-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-keto-2-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethyl]-2H-phthalazine-1,4-quinone Formula: C21H21N5O7S MolecularWeight: 487.48574

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O7S/c1-34(32,33)14-6-7-17(18(12-14)26(30)31)23-8-10-24(11-9-23)19(27)13-25-21(29)16-5-3-2-4-15(16)20(28)22-25/h2-7,12H,8-11,13H2,1H3,(H,22,28)