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

Systemtic Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-besyl-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine Formula: C17H15F3N4O6S MolecularWeight: 460.38441

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H15F3N4O6S/c18-17(19,20)12-10-14(23(25)26)16(15(11-12)24(27)28)21-6-8-22(9-7-21)31(29,30)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2