2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H21FN4O3S2 MolecularWeight: 484.566243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H21FN4O3S2/c24-17-7-9-18(10-8-17)33(30,31)27-13-11-26(12-14-27)16-28-23(29)20-5-2-1-4-19(20)22(25-28)21-6-3-15-32-21/h1-10,15H,11-14,16H2