4-oxidanylidene-3-[2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]phthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-(4-mesitylsulfonylpiperazino)ethyl]phthalazin-1-olate Formula: C23H25N4O5S- MolecularWeight: 469.5334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-])C

InChI

InChI=1S/C23H26N4O5S/c1-15-12-16(2)21(17(3)13-15)33(31,32)26-10-8-25(9-11-26)20(28)14-27-23(30)19-7-5-4-6-18(19)22(29)24-27/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,29)/p-1