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

Systemtic Name: 2-(5-fluoranyl-2-nitro-phenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(5-fluoro-2-nitro-phenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(5-fluoro-2-nitrophenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(5-fluoro-2-nitrophenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(5-fluoro-2-nitro-phenoxy)-1-(4-tosylpiperazino)ethanone Formula: C19H20FN3O6S MolecularWeight: 437.442003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O6S/c1-14-2-5-16(6-3-14)30(27,28)22-10-8-21(9-11-22)19(24)13-29-18-12-15(20)4-7-17(18)23(25)26/h2-7,12H,8-11,13H2,1H3