4-tert-butyl-N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[1-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-1-pyrrolidin-1-iumyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Formula: C27H37N2O4S+ MolecularWeight: 485.65868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C(=O)C4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C(=O)C4CC4

InChI

InChI=1S/C27H37N2O4S/c1-27(2,3)23-11-15-25(16-12-23)34(31,32)28-29(17-4-5-18-29)19-6-20-33-24-13-9-22(10-14-24)26(30)21-7-8-21/h9-16,21,28H,4-8,17-20H2,1-3H3/q+1