3-(tert-butylsulfamoyl)-5-(furan-2-ylmethylamino)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 3-(tert-butylsulfamoyl)-5-(furan-2-ylmethylamino)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 3-(tert-butylsulfamoyl)-5-(2-furylmethylamino)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]benzamide CAS Name: 3-(tert-butylsulfamoyl)-5-(2-furanylmethylamino)-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 3-(tert-butylsulfamoyl)-5-(furan-2-ylmethylamino)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 3-(tert-butylsulfamoyl)-5-(2-furfurylamino)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]benzamide Formula: C23H35N4O4S+ MolecularWeight: 463.6134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=CC=CO2)C(=O)NCC3CCC[NH+](C3)C

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=CC=CO2)C(=O)NC[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C23H34N4O4S/c1-23(2,3)26-32(29,30)21-12-18(11-19(13-21)24-15-20-8-6-10-31-20)22(28)25-14-17-7-5-9-27(4)16-17/h6,8,10-13,17,24,26H,5,7,9,14-16H2,1-4H3,(H,25,28)/p+1/t17-/m1/s1