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

Systemtic Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-benzenesulfonamide Openeye Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-benzenesulfonamide CAS Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]-N-methylbenzenesulfonamide IUPAC Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methylbenzenesulfonamide Traditional Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-benzenesulfonamide Formula: C28H29N4O3S+ MolecularWeight: 501.61986

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Descriptors Computed from Structure

Canonical SMILES:

CN([N+]1(CCCC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CN([N+]1(CCCC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H29N4O3S/c1-31(36(33,34)28-15-7-24(22-30)8-16-28)32(17-2-3-18-32)19-4-20-35-27-13-11-26(12-14-27)25-9-5-23(21-29)6-10-25/h5-16H,2-4,17-20H2,1H3/q+1