N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide

Systemtic Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Openeye Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide CAS Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]benzenesulfonamide IUPAC Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Traditional Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Formula: C26H28N3O3S+ MolecularWeight: 462.58382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N3O3S/c27-21-22-9-11-23(12-10-22)24-13-15-25(16-14-24)32-20-6-19-29(17-4-5-18-29)28-33(30,31)26-7-2-1-3-8-26/h1-3,7-16,28H,4-6,17-20H2/q+1