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

Systemtic Name: 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[4-(4-methylpiperidino)sulfonylphenyl]phthalazin-1-olate Formula: C20H20N3O4S- MolecularWeight: 398.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-14-10-12-22(13-11-14)28(26,27)16-8-6-15(7-9-16)23-20(25)18-5-3-2-4-17(18)19(24)21-23/h2-9,14H,10-13H2,1H3,(H,21,24)/p-1