3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-keto-2-(4-tosylpiperazino)ethyl]-2H-phthalazine-1,4-quinone Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S/c1-15-6-8-16(9-7-15)31(29,30)24-12-10-23(11-13-24)19(26)14-25-21(28)18-5-3-2-4-17(18)20(27)22-25/h2-9H,10-14H2,1H3,(H,22,27)