4-phenyl-2-[[4-(phenylsulfonyl)phenyl]methyl]phthalazin-1-one

Systemtic Name: 4-phenyl-2-[[4-(phenylsulfonyl)phenyl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(benzenesulfonyl)phenyl]methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[[4-(benzenesulfonyl)phenyl]methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[[4-(benzenesulfonyl)phenyl]methyl]-4-phenylphthalazin-1-one Traditional Name: 2-(4-besylbenzyl)-4-phenyl-phthalazin-1-one Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O3S/c30-27-25-14-8-7-13-24(25)26(21-9-3-1-4-10-21)28-29(27)19-20-15-17-23(18-16-20)33(31,32)22-11-5-2-6-12-22/h1-18H,19H2