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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CCC(=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)CCC(=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

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