2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(4-besylpiperazino)methyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3S2/c28-23-20-10-5-4-9-19(20)22(21-11-6-16-31-21)24-27(23)17-25-12-14-26(15-13-25)32(29,30)18-7-2-1-3-8-18/h1-11,16H,12-15,17H2