4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(2-nitrophenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2-nitrophenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2-nitrophenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C19H17N5O6S MolecularWeight: 443.43318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O6S/c25-18-14-6-2-1-5-13(14)17(20-21-18)19(26)22-9-11-23(12-10-22)31(29,30)16-8-4-3-7-15(16)24(27)28/h1-8H,9-12H2,(H,21,25)