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

Systemtic Name: 2-[5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[5-[4-(4-chlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]-4-phenyl-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=CC=C5)S(=O)(=O)C6=CC=C(C=C6)Cl

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=C(C=C6)Cl

InChI

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