2-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C25H21Cl2N5O5S MolecularWeight: 574.43574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H21Cl2N5O5S/c1-16-19-4-2-3-5-20(19)25(33)31(28-16)24-14-17(6-9-23(24)32(34)35)29-10-12-30(13-11-29)38(36,37)18-7-8-21(26)22(27)15-18/h2-9,14-15H,10-13H2,1H3