1-[2,4-dinitro-6-(trifluoromethyl)phenyl]-4-methylsulfonyl-piperazine

Systemtic Name: 1-[2,4-dinitro-6-(trifluoromethyl)phenyl]-4-methylsulfonyl-piperazine Openeye Name: 1-[2,4-dinitro-6-(trifluoromethyl)phenyl]-4-methylsulfonyl-piperazine CAS Name: 1-[2,4-dinitro-6-(trifluoromethyl)phenyl]-4-methylsulfonylpiperazine IUPAC Name: 1-[2,4-dinitro-6-(trifluoromethyl)phenyl]-4-methylsulfonylpiperazine Traditional Name: 1-[2,4-dinitro-6-(trifluoromethyl)phenyl]-4-mesyl-piperazine Formula: C12H13F3N4O6S MolecularWeight: 398.31503

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13F3N4O6S/c1-26(24,25)17-4-2-16(3-5-17)11-9(12(13,14)15)6-8(18(20)21)7-10(11)19(22)23/h6-7H,2-5H2,1H3