3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione CAS Name: 3-[4-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]phenyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[4-[4-(4-methoxyphenyl)piperazino]sulfonylphenyl]-2H-phthalazine-1,4-quinone Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C25H24N4O5S/c1-34-20-10-6-18(7-11-20)27-14-16-28(17-15-27)35(32,33)21-12-8-19(9-13-21)29-25(31)23-5-3-2-4-22(23)24(30)26-29/h2-13H,14-17H2,1H3,(H,26,30)