4-[[3-(4-ethylsulfonylpiperazin-1-yl)carbonylphenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-(4-ethylsulfonylpiperazin-1-yl)carbonylphenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(4-ethylsulfonylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[(4-ethylsulfonyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(4-ethylsulfonylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(4-esylpiperazine-1-carbonyl)benzyl]-2H-phthalazin-1-one Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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