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

Systemtic Name: 4-bromanyl-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide CAS Name: 4-bromo-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Formula: C26H27BrN3O3S+ MolecularWeight: 541.47988

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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)Br

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)Br

InChI

InChI=1S/C26H27BrN3O3S/c27-24-10-14-26(15-11-24)34(31,32)29-30(16-1-2-17-30)18-3-19-33-25-12-8-23(9-13-25)22-6-4-21(20-28)5-7-22/h4-15,29H,1-3,16-19H2/q+1