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

Systemtic Name: (2-nitrophenyl) (3R)-3-(trifluoromethyl)piperidine-1-sulfonate Openeye Name: (2-nitrophenyl) (3R)-3-(trifluoromethyl)piperidine-1-sulfonate CAS Name: (3R)-3-(trifluoromethyl)-1-piperidinesulfonic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) (3R)-3-(trifluoromethyl)piperidine-1-sulfonate Traditional Name: (3R)-3-(trifluoromethyl)piperidine-1-sulfonic acid (2-nitrophenyl) ester Formula: C12H13F3N2O5S MolecularWeight: 354.30223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N2O5S/c13-12(14,15)9-4-3-7-16(8-9)23(20,21)22-11-6-2-1-5-10(11)17(18)19/h1-2,5-6,9H,3-4,7-8H2/t9-/m1/s1