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

Systemtic Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-benzylsulfonyl-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine Formula: C18H17F3N4O6S MolecularWeight: 474.41099

Click to see the large picture

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)CC3=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)CC3=CC=CC=C3

InChI

InChI=1S/C18H17F3N4O6S/c19-18(20,21)14-10-15(24(26)27)17(16(11-14)25(28)29)22-6-8-23(9-7-22)32(30,31)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2