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

Systemtic Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]-N-methyl-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-4-methylsulfonylbenzenesulfonamide Traditional Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-4-mesyl-N-methyl-benzenesulfonamide Formula: C28H32N3O5S2+ MolecularWeight: 554.70078

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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)S(=O)(=O)C

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)S(=O)(=O)C

InChI

InChI=1S/C28H32N3O5S2/c1-30(38(34,35)28-16-14-27(15-17-28)37(2,32)33)31(18-3-4-19-31)20-5-21-36-26-12-10-25(11-13-26)24-8-6-23(22-29)7-9-24/h6-17H,3-5,18-21H2,1-2H3/q+1