4-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]-2H-phthalazin-1-one Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4S/c27-21(16-20-18-8-4-5-9-19(18)22(28)24-23-20)25-11-13-26(14-12-25)31(29,30)15-10-17-6-2-1-3-7-17/h1-10,15H,11-14,16H2,(H,24,28)/b15-10+