2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-[4-(3-nitrophenyl)sulfonylpiperazino]ethyl]phthalazin-1-one Formula: C20H19N5O6S MolecularWeight: 457.45976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6S/c26-19(14-24-20(27)18-7-2-1-4-15(18)13-21-24)22-8-10-23(11-9-22)32(30,31)17-6-3-5-16(12-17)25(28)29/h1-7,12-13H,8-11,14H2