(4-nitrophenyl) (3R)-3-(trifluoromethyl)piperidine-1-sulfonate

Systemtic Name: (4-nitrophenyl) (3R)-3-(trifluoromethyl)piperidine-1-sulfonate Openeye Name: (4-nitrophenyl) (3R)-3-(trifluoromethyl)piperidine-1-sulfonate CAS Name: (3R)-3-(trifluoromethyl)-1-piperidinesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (3R)-3-(trifluoromethyl)piperidine-1-sulfonate Traditional Name: (3R)-3-(trifluoromethyl)piperidine-1-sulfonic acid (4-nitrophenyl) ester Formula: C12H13F3N2O5S MolecularWeight: 354.30223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1C[C@H](CN(C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H13F3N2O5S/c13-12(14,15)9-2-1-7-16(8-9)23(20,21)22-11-5-3-10(4-6-11)17(18)19/h3-6,9H,1-2,7-8H2/t9-/m1/s1