4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-(4-tosylpiperazino)ethyl]-2H-phthalazin-1-one Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N4O4S/c1-15-6-8-16(9-7-15)30(28,29)25-12-10-24(11-13-25)20(26)14-19-17-4-2-3-5-18(17)21(27)23-22-19/h2-9H,10-14H2,1H3,(H,23,27)