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

Systemtic Name: 2-[2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[5-(4-besylpiperazino)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Formula: C30H25N5O5S MolecularWeight: 567.615

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H25N5O5S/c36-30-26-14-8-7-13-25(26)29(22-9-3-1-4-10-22)31-34(30)28-21-23(15-16-27(28)35(37)38)32-17-19-33(20-18-32)41(39,40)24-11-5-2-6-12-24/h1-16,21H,17-20H2