2-[5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C27H27N5O7S MolecularWeight: 565.59758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O7S/c1-18-21-6-4-5-7-22(21)27(33)31(28-18)24-16-19(8-10-23(24)32(34)35)29-12-14-30(15-13-29)40(36,37)20-9-11-25(38-2)26(17-20)39-3/h4-11,16-17H,12-15H2,1-3H3