4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C13H16F3N5O6S MolecularWeight: 427.35625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F3N5O6S/c1-17(2)28(26,27)19-5-3-18(4-6-19)12-10(20(22)23)7-9(13(14,15)16)8-11(12)21(24)25/h7-8H,3-6H2,1-2H3