N-(1-cyano-3-phenylmethoxy-pyrrolidin-1-ium-1-yl)benzenesulfonamide

Systemtic Name: N-(1-cyano-3-phenylmethoxy-pyrrolidin-1-ium-1-yl)benzenesulfonamide Openeye Name: N-(3-benzyloxy-1-cyano-pyrrolidin-1-ium-1-yl)benzenesulfonamide CAS Name: N-(1-cyano-3-phenylmethoxy-1-pyrrolidin-1-iumyl)benzenesulfonamide IUPAC Name: N-(1-cyano-3-phenylmethoxypyrrolidin-1-ium-1-yl)benzenesulfonamide Traditional Name: N-(3-benzoxy-1-cyano-pyrrolidin-1-ium-1-yl)benzenesulfonamide Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC1OCC2=CC=CC=C2)(C#N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[N+](CC1OCC2=CC=CC=C2)(C#N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N3O3S/c19-15-21(20-25(22,23)18-9-5-2-6-10-18)12-11-17(13-21)24-14-16-7-3-1-4-8-16/h1-10,17,20H,11-14H2/q+1