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

Systemtic Name: 4-methyl-2-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-methyl-2-[2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]phthalazin-1-one CAS Name: 4-methyl-2-[5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]phthalazin-1-one Traditional Name: 4-methyl-2-[2-nitro-5-(4-tosylpiperazino)phenyl]phthalazin-1-one Formula: C26H25N5O5S MolecularWeight: 519.5722

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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)C

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)C

InChI

InChI=1S/C26H25N5O5S/c1-18-7-10-21(11-8-18)37(35,36)29-15-13-28(14-16-29)20-9-12-24(31(33)34)25(17-20)30-26(32)23-6-4-3-5-22(23)19(2)27-30/h3-12,17H,13-16H2,1-2H3