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

Systemtic Name: 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[5-(4-ethylsulfonyl-1-piperazinyl)-2-nitrophenyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[5-(4-esylpiperazino)-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one Formula: C27H27N5O5S MolecularWeight: 533.59878

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H27N5O5S/c1-3-38(36,37)30-16-14-29(15-17-30)21-12-13-24(32(34)35)25(18-21)31-27(33)23-7-5-4-6-22(23)26(28-31)20-10-8-19(2)9-11-20/h4-13,18H,3,14-17H2,1-2H3