N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-ethanesulfonamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-ethanesulfonamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-ethanesulfonamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-phenylethanesulfonamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-phenylethanesulfonamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-ethanesulfonamide Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNS(=O)(=O)CCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNS(=O)(=O)CCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N2O4S/c24-28(25,13-10-17-6-2-1-3-7-17)22-15-19(23-11-4-5-12-23)18-8-9-20-21(14-18)27-16-26-20/h1-3,6-9,14,19,22H,4-5,10-13,15-16H2/p+1/t19-/m0/s1