N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C18H22F3N2O3S+ MolecularWeight: 403.43909

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C18H21F3N2O3S/c19-18(20,21)14-6-4-7-15(12-14)27(24,25)22-13-16(17-8-5-11-26-17)23-9-2-1-3-10-23/h4-8,11-12,16,22H,1-3,9-10,13H2/p+1/t16-/m1/s1