2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazino]methyl]-4-phenyl-phthalazin-1-one Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3S/c1-20-12-13-21(2)25(18-20)35(33,34)30-16-14-29(15-17-30)19-31-27(32)24-11-7-6-10-23(24)26(28-31)22-8-4-3-5-9-22/h3-13,18H,14-17,19H2,1-2H3