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

Systemtic Name: 2-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-nitro-5-(4-tosylpiperazino)phenyl]-4-phenyl-phthalazin-1-one Formula: C31H27N5O5S MolecularWeight: 581.64158

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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=CC=C6

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=CC=C6

InChI

InChI=1S/C31H27N5O5S/c1-22-11-14-25(15-12-22)42(40,41)34-19-17-33(18-20-34)24-13-16-28(36(38)39)29(21-24)35-31(37)27-10-6-5-9-26(27)30(32-35)23-7-3-2-4-8-23/h2-16,21H,17-20H2,1H3