4-methyl-2-[2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]phthalazin-1-one Openeye Name: 2-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-(4-besylpiperazino)-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C25H23N5O5S MolecularWeight: 505.54562

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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-]

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-]

InChI

InChI=1S/C25H23N5O5S/c1-18-21-9-5-6-10-22(21)25(31)29(26-18)24-17-19(11-12-23(24)30(32)33)27-13-15-28(16-14-27)36(34,35)20-7-3-2-4-8-20/h2-12,17H,13-16H2,1H3