2-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]phenol

Systemtic Name: 2-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]phenol Openeye Name: 2-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]phenol CAS Name: 2-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1-piperazinyl]phenol IUPAC Name: 2-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]phenol Traditional Name: 2-[4-(2-nitro-4-triflyl-phenyl)piperazino]phenol Formula: C17H16F3N3O5S MolecularWeight: 431.38625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C3=CC=CC=C3O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C3=CC=CC=C3O

InChI

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