4-cyano-N-[1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide

Systemtic Name: 4-cyano-N-[1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Openeye Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-4-cyano-benzenesulfonamide CAS Name: N-[1-[3-(4-acetylphenoxy)propyl]-1-pyrrolidin-1-iumyl]-4-cyanobenzenesulfonamide IUPAC Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-4-cyanobenzenesulfonamide Traditional Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-4-cyano-benzenesulfonamide Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCC[N+]2(CCCC2)NS(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCC[N+]2(CCCC2)NS(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H26N3O4S/c1-18(26)20-7-9-21(10-8-20)29-16-4-15-25(13-2-3-14-25)24-30(27,28)22-11-5-19(17-23)6-12-22/h5-12,24H,2-4,13-16H2,1H3/q+1