4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-(4-indan-5-ylsulfonylpiperazine-1-carbonyl)-2H-phthalazin-1-one CAS Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-(4-indan-5-ylsulfonylpiperazine-1-carbonyl)-2H-phthalazin-1-one Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C22H22N4O4S/c27-21-19-7-2-1-6-18(19)20(23-24-21)22(28)25-10-12-26(13-11-25)31(29,30)17-9-8-15-4-3-5-16(15)14-17/h1-2,6-9,14H,3-5,10-13H2,(H,24,27)