4-[[4-(4-ethylsulfonylpiperazin-1-yl)carbonylpyridin-2-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[4-(4-ethylsulfonylpiperazin-1-yl)carbonylpyridin-2-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-(4-ethylsulfonylpiperazine-1-carbonyl)-2-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(4-ethylsulfonyl-1-piperazinyl)-oxomethyl]-2-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-(4-ethylsulfonylpiperazine-1-carbonyl)pyridin-2-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[4-(4-esylpiperazine-1-carbonyl)-2-pyridyl]methyl]-2H-phthalazin-1-one Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NC=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NC=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H23N5O4S/c1-2-31(29,30)26-11-9-25(10-12-26)21(28)15-7-8-22-16(13-15)14-19-17-5-3-4-6-18(17)20(27)24-23-19/h3-8,13H,2,9-12,14H2,1H3,(H,24,27)