2-(3-methylphenyl)-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-4,5-dihydropyridazin-3-one

Systemtic Name: 2-(3-methylphenyl)-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-4,5-dihydropyridazin-3-one Openeye Name: 2-(m-tolyl)-6-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one CAS Name: 2-(3-methylphenyl)-6-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-4,5-dihydropyridazin-3-one IUPAC Name: 2-(3-methylphenyl)-6-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one Traditional Name: 2-(m-tolyl)-6-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CCC(=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)CCC(=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O6S/c1-16-4-2-5-17(14-16)26-21(28)9-8-20(23-26)22(29)24-10-12-25(13-11-24)34(32,33)19-7-3-6-18(15-19)27(30)31/h2-7,14-15H,8-13H2,1H3