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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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