4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C20H19N5O6S MolecularWeight: 457.45976

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6S/c1-32(30,31)13-6-7-16(17(12-13)25(28)29)23-8-10-24(11-9-23)20(27)18-14-4-2-3-5-15(14)19(26)22-21-18/h2-7,12H,8-11H2,1H3,(H,22,26)