N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(trifluoromethyl)benzenesulfonamide Formula: C18H20F3N2O2S+ MolecularWeight: 385.42381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@H]1NS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C18H19F3N2O2S/c19-18(20,21)15-6-8-17(9-7-15)26(24,25)22-16-10-11-23(13-16)12-14-4-2-1-3-5-14/h1-9,16,22H,10-13H2/p+1/t16-/m0/s1