2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazino]methyl]-4-phenyl-phthalazin-1-one Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O4S/c1-34-21-11-13-22(14-12-21)35(32,33)29-17-15-28(16-18-29)19-30-26(31)24-10-6-5-9-23(24)25(27-30)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3