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

Systemtic Name: 4-(4-chlorophenyl)-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[5-(4-methylsulfonyl-1-piperazinyl)-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-[5-(4-mesylpiperazino)-2-nitro-phenyl]phthalazin-1-one Formula: C25H22ClN5O5S MolecularWeight: 539.99068

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN5O5S/c1-37(35,36)29-14-12-28(13-15-29)19-10-11-22(31(33)34)23(16-19)30-25(32)21-5-3-2-4-20(21)24(27-30)17-6-8-18(26)9-7-17/h2-11,16H,12-15H2,1H3