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

Systemtic Name: 3-cyano-N-[1-[3-(4-pyridin-2-ylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Openeye Name: 3-cyano-N-[1-[3-[4-(2-pyridyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide CAS Name: 3-cyano-N-[1-[3-[4-(2-pyridinyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]benzenesulfonamide IUPAC Name: 3-cyano-N-[1-[3-(4-pyridin-2-ylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Traditional Name: 3-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=CC(=C4)C#N

Isomeric SMILES

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

InChI

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