2-[2-nitro-4-(trifluoromethylsulfinyl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[2-nitro-4-(trifluoromethylsulfinyl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[2-nitro-4-(trifluoromethylsulfinyl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[2-nitro-4-(trifluoromethylsulfinyl)phenoxy]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[2-nitro-4-(trifluoromethylsulfinyl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[2-nitro-4-(trifluoromethylsulfinyl)phenoxy]-1-(4-phenylpiperazino)ethanone Formula: C19H18F3N3O5S MolecularWeight: 457.42353

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)S(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)S(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O5S/c20-19(21,22)31(29)15-6-7-17(16(12-15)25(27)28)30-13-18(26)24-10-8-23(9-11-24)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2