2-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-(4-besylpiperazine-1-carbonyl)-2-phenyl-phthalazin-1-one Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O4S/c30-24-22-14-8-7-13-21(22)23(26-29(24)19-9-3-1-4-10-19)25(31)27-15-17-28(18-16-27)34(32,33)20-11-5-2-6-12-20/h1-14H,15-18H2