2-[5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[5-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[5-[4-(4-fluorophenyl)sulfonylpiperazino]-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one Formula: C31H26FN5O5S MolecularWeight: 599.632043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)S(=O)(=O)C6=CC=C(C=C6)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)S(=O)(=O)C6=CC=C(C=C6)F)[N+](=O)[O-]

InChI

InChI=1S/C31H26FN5O5S/c1-21-6-8-22(9-7-21)30-26-4-2-3-5-27(26)31(38)36(33-30)29-20-24(12-15-28(29)37(39)40)34-16-18-35(19-17-34)43(41,42)25-13-10-23(32)11-14-25/h2-15,20H,16-19H2,1H3