4-[[3-(4-ethylsulfonylpiperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-(4-ethylsulfonylpiperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(4-ethylsulfonylpiperazine-1-carbonyl)-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[(4-ethylsulfonyl-1-piperazinyl)-oxomethyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(4-ethylsulfonylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(4-esylpiperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one Formula: C22H23FN4O4S MolecularWeight: 458.505823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4O4S/c1-2-32(30,31)27-11-9-26(10-12-27)22(29)18-13-15(7-8-19(18)23)14-20-16-5-3-4-6-17(16)21(28)25-24-20/h3-8,13H,2,9-12,14H2,1H3,(H,25,28)