4-propan-2-yl-N-[1-[3-(4-pyridin-2-ylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide

Systemtic Name: 4-propan-2-yl-N-[1-[3-(4-pyridin-2-ylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Openeye Name: 4-isopropyl-N-[1-[3-[4-(2-pyridyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide CAS Name: 4-propan-2-yl-N-[1-[3-[4-(2-pyridinyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]benzenesulfonamide IUPAC Name: 4-propan-2-yl-N-[1-[3-(4-pyridin-2-ylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Traditional Name: 4-isopropyl-N-[1-[3-[4-(2-pyridyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Formula: C27H34N3O3S+ MolecularWeight: 480.64216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C4=CC=CC=N4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C4=CC=CC=N4

InChI

InChI=1S/C27H34N3O3S/c1-22(2)23-11-15-26(16-12-23)34(31,32)29-30(18-5-6-19-30)20-7-21-33-25-13-9-24(10-14-25)27-8-3-4-17-28-27/h3-4,8-17,22,29H,5-7,18-21H2,1-2H3/q+1