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

Systemtic Name: 4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-4-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O6S/c1-15(2)27-22(29)18-7-5-4-6-17(18)21(24-27)23(30)26-12-10-25(11-13-26)19-9-8-16(35(3,33)34)14-20(19)28(31)32/h4-9,14-15H,10-13H2,1-3H3