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

Systemtic Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-4-methylsulfonylbenzenesulfonamide Traditional Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-4-mesyl-benzenesulfonamide Formula: C27H30N3O5S2+ MolecularWeight: 540.6742

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H30N3O5S2/c1-36(31,32)26-13-15-27(16-14-26)37(33,34)29-30(17-2-3-18-30)19-4-20-35-25-11-9-24(10-12-25)23-7-5-22(21-28)6-8-23/h5-16,29H,2-4,17-20H2,1H3/q+1