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

Systemtic Name: 3-[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione CAS Name: 3-[4-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]sulfonyl]phenyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[4-[4-(2-furoyl)piperazino]sulfonylphenyl]-2H-phthalazine-1,4-quinone Formula: C23H20N4O6S MolecularWeight: 480.4931

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C23H20N4O6S/c28-21-18-4-1-2-5-19(18)22(29)27(24-21)16-7-9-17(10-8-16)34(31,32)26-13-11-25(12-14-26)23(30)20-6-3-15-33-20/h1-10,15H,11-14H2,(H,24,28)