4-methyl-2-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]phthalazin-1-one Openeye Name: 4-methyl-2-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]phthalazin-1-one CAS Name: 4-methyl-2-[2-nitro-5-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]phenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]phthalazin-1-one Traditional Name: 4-methyl-2-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazino]phenyl]phthalazin-1-one Formula: C25H22N6O7S MolecularWeight: 550.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H22N6O7S/c1-17-19-6-2-3-7-20(19)25(32)29(26-17)23-16-18(10-11-21(23)30(33)34)27-12-14-28(15-13-27)39(37,38)24-9-5-4-8-22(24)31(35)36/h2-11,16H,12-15H2,1H3