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

Systemtic Name: 6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-2-phenyl-4,5-dihydropyridazin-3-one Openeye Name: 6-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one CAS Name: 6-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-phenyl-4,5-dihydropyridazin-3-one IUPAC Name: 6-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one Traditional Name: 6-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one Formula: C21H21N5O6S MolecularWeight: 471.48634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(N=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(N=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O6S/c27-20-10-9-19(22-25(20)16-5-2-1-3-6-16)21(28)23-11-13-24(14-12-23)33(31,32)18-8-4-7-17(15-18)26(29)30/h1-8,15H,9-14H2