1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

Systemtic Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-2-[3-(trifluoromethyl)phenyl]ethanone IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-2-[3-(trifluoromethyl)phenyl]ethanone Formula: C20H20F3N3O6S MolecularWeight: 487.44951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20F3N3O6S/c1-32-18-6-5-16(13-17(18)26(28)29)33(30,31)25-9-7-24(8-10-25)19(27)12-14-3-2-4-15(11-14)20(21,22)23/h2-6,11,13H,7-10,12H2,1H3