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

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

InChI

InChI=1S/C27H27N4O3S/c28-20-22-7-9-24(10-8-22)25-11-13-26(14-12-25)34-18-4-17-31(15-1-2-16-31)30-35(32,33)27-6-3-5-23(19-27)21-29/h3,5-14,19,30H,1-2,4,15-18H2/q+1