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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N2O4S/c1-18-5-12-23(31(25,28)29)22(17-18)26(13-2-3-14-26)15-4-16-30-21-10-8-20(9-11-21)24(27)19-6-7-19/h5,8-12,17,19H,2-4,6-7,13-16H2,1H3,(H2,25,28,29)/q+1