4-[2-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[(3S)-3-(trifluoromethyl)-1-piperidin-1-iumyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethoxy]benzenesulfonamide Formula: C14H20F3N2O3S+ MolecularWeight: 353.38041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCOC2=CC=C(C=C2)S(=O)(=O)N)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCOC2=CC=C(C=C2)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C14H19F3N2O3S/c15-14(16,17)11-2-1-7-19(10-11)8-9-22-12-3-5-13(6-4-12)23(18,20)21/h3-6,11H,1-2,7-10H2,(H2,18,20,21)/p+1/t11-/m0/s1