1-(4-nitrophenyl)-4-[2-(trifluoromethyloxy)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(4-nitrophenyl)-4-[2-(trifluoromethyloxy)phenyl]sulfonyl-piperazine Openeye Name: 1-(4-nitrophenyl)-4-[2-(trifluoromethoxy)phenyl]sulfonyl-piperazine CAS Name: 1-(4-nitrophenyl)-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine IUPAC Name: 1-(4-nitrophenyl)-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine Traditional Name: 1-(4-nitrophenyl)-4-[2-(trifluoromethoxy)phenyl]sulfonyl-piperazine Formula: C17H16F3N3O5S MolecularWeight: 431.38625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C17H16F3N3O5S/c18-17(19,20)28-15-3-1-2-4-16(15)29(26,27)22-11-9-21(10-12-22)13-5-7-14(8-6-13)23(24)25/h1-8H,9-12H2