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

Systemtic Name: 4-(4-chlorophenyl)-2-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-[2-nitro-5-(4-tosylpiperazino)phenyl]phthalazin-1-one Formula: C31H26ClN5O5S MolecularWeight: 616.08664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C31H26ClN5O5S/c1-21-6-13-25(14-7-21)43(41,42)35-18-16-34(17-19-35)24-12-15-28(37(39)40)29(20-24)36-31(38)27-5-3-2-4-26(27)30(33-36)22-8-10-23(32)11-9-22/h2-15,20H,16-19H2,1H3