N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-fluorobenzenesulfonamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-fluoro-benzenesulfonamide Formula: C19H22FN2O4S+ MolecularWeight: 393.452383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21FN2O4S/c20-15-4-6-16(7-5-15)27(23,24)21-12-17(22-9-1-2-10-22)14-3-8-18-19(11-14)26-13-25-18/h3-8,11,17,21H,1-2,9-10,12-13H2/p+1/t17-/m0/s1