N-[(2R)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[(2R)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2R)-2-(2-chloro-6-fluoro-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2R)-2-(2-chloro-6-fluoro-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C19H21ClFN2O4S+ MolecularWeight: 427.897443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H20ClFN2O4S/c20-14-4-3-5-15(21)19(14)16(23-8-1-2-9-23)11-22-28(24,25)13-6-7-17-18(10-13)27-12-26-17/h3-7,10,16,22H,1-2,8-9,11-12H2/p+1/t16-/m0/s1