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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(trifluoromethyl)benzenesulfonamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(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=C2C(F)(F)F)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C18H21F3N2O3S/c19-18(20,21)14-7-2-3-9-17(14)27(24,25)22-13-15(16-8-6-12-26-16)23-10-4-1-5-11-23/h2-3,6-9,12,15,22H,1,4-5,10-11,13H2/p+1/t15-/m0/s1