(E)-N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[1-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-1-pyrrolidin-1-iumyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-2-phenyl-ethenesulfonamide Formula: C25H31N2O4S+ MolecularWeight: 455.58964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CCCOC2=CC=C(C=C2)C(=O)C3CC3)NS(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CC[N+](C1)(CCCOC2=CC=C(C=C2)C(=O)C3CC3)NS(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H31N2O4S/c28-25(22-9-10-22)23-11-13-24(14-12-23)31-19-6-18-27(16-4-5-17-27)26-32(29,30)20-15-21-7-2-1-3-8-21/h1-3,7-8,11-15,20,22,26H,4-6,9-10,16-19H2/q+1/b20-15+