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

Systemtic Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-ethylsulfonyl-piperazine Openeye Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-ethylsulfonyl-piperazine CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-ethylsulfonylpiperazine IUPAC Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-ethylsulfonylpiperazine Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-esyl-piperazine Formula: C13H15F3N4O6S MolecularWeight: 412.34161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N4O6S/c1-2-27(25,26)18-5-3-17(4-6-18)12-10(19(21)22)7-9(13(14,15)16)8-11(12)20(23)24/h7-8H,2-6H2,1H3