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

Systemtic Name: N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Openeye Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide CAS Name: N-[1-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-1-pyrrolidin-1-iumyl]benzenesulfonamide IUPAC Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Traditional Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]benzenesulfonamide Formula: C23H29N2O4S+ MolecularWeight: 429.55236

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N2O4S/c26-23(19-9-10-19)20-11-13-21(14-12-20)29-18-6-17-25(15-4-5-16-25)24-30(27,28)22-7-2-1-3-8-22/h1-3,7-8,11-14,19,24H,4-6,9-10,15-18H2/q+1