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

Systemtic Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3-methyl-benzenesulfonamide Openeye Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3-methyl-benzenesulfonamide CAS Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]-3-methylbenzenesulfonamide IUPAC Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3-methylbenzenesulfonamide Traditional Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3-methyl-benzenesulfonamide Formula: C27H30N3O3S+ MolecularWeight: 476.6104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H30N3O3S/c1-22-6-4-7-27(20-22)34(31,32)29-30(16-2-3-17-30)18-5-19-33-26-14-12-25(13-15-26)24-10-8-23(21-28)9-11-24/h4,6-15,20,29H,2-3,5,16-19H2,1H3/q+1