2-(5-fluoranyl-2-nitro-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(5-fluoranyl-2-nitro-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(5-fluoro-2-nitro-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(5-fluoro-2-nitrophenoxy)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(5-fluoro-2-nitrophenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(5-fluoro-2-nitro-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C18H17FN4O8S MolecularWeight: 468.412983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN4O8S/c19-13-4-5-16(23(27)28)17(10-13)31-12-18(24)20-6-8-21(9-7-20)32(29,30)15-3-1-2-14(11-15)22(25)26/h1-5,10-11H,6-9,12H2