4-cyano-N-[1-[3-(4-pyridin-2-ylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide

Systemtic Name: 4-cyano-N-[1-[3-(4-pyridin-2-ylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Openeye Name: 4-cyano-N-[1-[3-[4-(2-pyridyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide CAS Name: 4-cyano-N-[1-[3-[4-(2-pyridinyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]benzenesulfonamide IUPAC Name: 4-cyano-N-[1-[3-(4-pyridin-2-ylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Traditional Name: 4-cyano-N-[1-[3-[4-(2-pyridyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Formula: C25H27N4O3S+ MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CCCOC2=CC=C(C=C2)C3=CC=CC=N3)NS(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC[N+](C1)(CCCOC2=CC=C(C=C2)C3=CC=CC=N3)NS(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H27N4O3S/c26-20-21-7-13-24(14-8-21)33(30,31)28-29(16-3-4-17-29)18-5-19-32-23-11-9-22(10-12-23)25-6-1-2-15-27-25/h1-2,6-15,28H,3-5,16-19H2/q+1