4-[2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C20H18ClFN4O4S MolecularWeight: 464.897723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H18ClFN4O4S/c21-16-11-13(5-6-17(16)22)31(29,30)26-9-7-25(8-10-26)19(27)12-18-14-3-1-2-4-15(14)20(28)24-23-18/h1-6,11H,7-10,12H2,(H,24,28)