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

Systemtic Name: 4-(4-chlorophenyl)-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-(4-chlorophenyl)phthalazin-1-one CAS Name: 2-[5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitrophenyl]-4-(4-chlorophenyl)-1-phthalazinone IUPAC Name: 2-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-chlorophenyl)phthalazin-1-one Traditional Name: 2-[5-(4-besylpiperazino)-2-nitro-phenyl]-4-(4-chlorophenyl)phthalazin-1-one Formula: C30H24ClN5O5S MolecularWeight: 602.06006

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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=C(C=C5)Cl)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=C(C=C5)Cl)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H24ClN5O5S/c31-22-12-10-21(11-13-22)29-25-8-4-5-9-26(25)30(37)35(32-29)28-20-23(14-15-27(28)36(38)39)33-16-18-34(19-17-33)42(40,41)24-6-2-1-3-7-24/h1-15,20H,16-19H2