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

Systemtic Name: 2-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-3-methyl-benzenesulfonamide Openeye Name: 2-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3-methyl-benzenesulfonamide CAS Name: 2-[1-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-1-pyrrolidin-1-iumyl]-3-methylbenzenesulfonamide IUPAC Name: 2-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3-methylbenzenesulfonamide Traditional Name: 2-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3-methyl-benzenesulfonamide Formula: C24H31N2O4S+ MolecularWeight: 443.57894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)S(=O)(=O)N)[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C(=O)C4CC4

Isomeric SMILES

CC1=C(C(=CC=C1)S(=O)(=O)N)[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C(=O)C4CC4

InChI

InChI=1S/C24H31N2O4S/c1-18-6-4-7-22(31(25,28)29)23(18)26(14-2-3-15-26)16-5-17-30-21-12-10-20(11-13-21)24(27)19-8-9-19/h4,6-7,10-13,19H,2-3,5,8-9,14-17H2,1H3,(H2,25,28,29)/q+1