1-[3-[4-(4-fluoranyl-2-nitro-phenyl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(4-fluoranyl-2-nitro-phenyl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(4-fluoro-2-nitro-phenyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-(4-fluoro-2-nitrophenyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(4-fluoro-2-nitrophenyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(4-fluoro-2-nitro-phenyl)piperazino]sulfonylphenyl]ethanone Formula: C18H18FN3O5S MolecularWeight: 407.416023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O5S/c1-13(23)14-3-2-4-16(11-14)28(26,27)21-9-7-20(8-10-21)17-6-5-15(19)12-18(17)22(24)25/h2-6,11-12H,7-10H2,1H3