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

Systemtic Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfonyl-piperazine Openeye Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfonyl-piperazine CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfonylpiperazine IUPAC Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfonylpiperazine Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfonyl-piperazine Formula: C17H14F4N4O6S MolecularWeight: 478.374873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F4N4O6S/c18-12-1-3-13(4-2-12)32(30,31)23-7-5-22(6-8-23)16-14(24(26)27)9-11(17(19,20)21)10-15(16)25(28)29/h1-4,9-10H,5-8H2