2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[oxo-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]phthalazin-1-one Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4S/c1-24-21(27)19-10-6-5-9-18(19)20(23-24)22(28)25-12-14-26(15-13-25)31(29,30)16-11-17-7-3-2-4-8-17/h2-11,16H,12-15H2,1H3/b16-11+