3-[4-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[4-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[4-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[4-[(4-cyclohexyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[4-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-oxophthalazin-1-olate Traditional Name: 3-[4-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-keto-phthalazin-1-olate Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=N4)[O-]

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=N4)[O-]

InChI

InChI=1S/C24H28N4O4S/c29-23-21-8-4-5-9-22(21)24(30)28(25-23)19-10-12-20(13-11-19)33(31,32)27-16-14-26(15-17-27)18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-17H2,(H,25,29)