4-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-(4-styrylsulfonylpiperazine-1-carbonyl)-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(2-phenylethenylsulfonyl)-1-piperazinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-(4-styrylsulfonylpiperazine-1-carbonyl)-2H-phthalazin-1-one Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C=CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4S/c26-20-18-9-5-4-8-17(18)19(22-23-20)21(27)24-11-13-25(14-12-24)30(28,29)15-10-16-6-2-1-3-7-16/h1-10,15H,11-14H2,(H,23,26)