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

Systemtic Name: 1-[4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]sulfonylphenyl]ethanone Formula: C19H18F3N3O5S MolecularWeight: 457.42353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3N3O5S/c1-13(26)14-2-5-16(6-3-14)31(29,30)24-10-8-23(9-11-24)17-7-4-15(19(20,21)22)12-18(17)25(27)28/h2-7,12H,8-11H2,1H3