5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 5-(2-furylmethylsulfamoyl)-2-methyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: 5-(2-furanylmethylsulfamoyl)-2-methyl-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: 5-(2-furfurylsulfamoyl)-2-methyl-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]benzamide Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

InChI

InChI=1S/C23H26N4O4S/c1-17-6-7-20(32(29,30)26-16-19-5-4-12-31-19)14-21(17)23(28)25-15-18-8-9-24-22(13-18)27-10-2-3-11-27/h4-9,12-14,26H,2-3,10-11,15-16H2,1H3,(H,25,28)/p+1