2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-(4-methylsulfonyl-1-piperazinyl)-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[5-(4-mesylpiperazino)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Formula: C25H23N5O5S MolecularWeight: 505.54562

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

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