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

Systemtic Name: 4-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one Openeye Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-isopropyl-phthalazin-1-one CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one Traditional Name: 4-(4-besylpiperazine-1-carbonyl)-2-isopropyl-phthalazin-1-one Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O4S/c1-16(2)26-21(27)19-11-7-6-10-18(19)20(23-26)22(28)24-12-14-25(15-13-24)31(29,30)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3