4-oxidanylidene-3-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]phthalazin-1-olate Openeye Name: 3-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-4-oxo-phthalazin-1-olate CAS Name: 4-oxo-3-[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-1-phthalazinolate IUPAC Name: 3-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-4-oxophthalazin-1-olate Traditional Name: 3-[4-(4-benzylpiperazino)sulfonylphenyl]-4-keto-phthalazin-1-olate Formula: C25H23N4O4S- MolecularWeight: 475.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=N4)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=N4)[O-]

InChI

InChI=1S/C25H24N4O4S/c30-24-22-8-4-5-9-23(22)25(31)29(26-24)20-10-12-21(13-11-20)34(32,33)28-16-14-27(15-17-28)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,26,30)/p-1