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

Systemtic Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Openeye Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide CAS Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]benzenesulfonamide IUPAC Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Traditional Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Formula: C27H27N4O3S+ MolecularWeight: 487.59328

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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=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H27N4O3S/c28-20-22-4-8-24(9-5-22)25-10-12-26(13-11-25)34-19-3-18-31(16-1-2-17-31)30-35(32,33)27-14-6-23(21-29)7-15-27/h4-15,30H,1-3,16-19H2/q+1