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

Systemtic Name: 2-cyano-N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Openeye Name: 2-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide CAS Name: 2-cyano-N-[1-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-1-pyrrolidin-1-iumyl]benzenesulfonamide IUPAC Name: 2-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Traditional Name: 2-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Formula: C24H28N3O4S+ MolecularWeight: 454.56182

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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=C4C#N

Isomeric SMILES

C1CC[N+](C1)(CCCOC2=CC=C(C=C2)C(=O)C3CC3)NS(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H28N3O4S/c25-18-21-6-1-2-7-23(21)32(29,30)26-27(14-3-4-15-27)16-5-17-31-22-12-10-20(11-13-22)24(28)19-8-9-19/h1-2,6-7,10-13,19,26H,3-5,8-9,14-17H2/q+1