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

Systemtic Name: 3-chloranyl-N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Openeye Name: 3-chloro-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide CAS Name: 3-chloro-N-[1-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-1-pyrrolidin-1-iumyl]benzenesulfonamide IUPAC Name: 3-chloro-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Traditional Name: 3-chloro-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Formula: C23H28ClN2O4S+ MolecularWeight: 463.99742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN2O4S/c24-20-5-3-6-22(17-20)31(28,29)25-26(13-1-2-14-26)15-4-16-30-21-11-9-19(10-12-21)23(27)18-7-8-18/h3,5-6,9-12,17-18,25H,1-2,4,7-8,13-16H2/q+1