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

Systemtic Name: 3-(tert-butylsulfamoyl)-5-(cyclobutylamino)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 3-(tert-butylsulfamoyl)-5-(cyclobutylamino)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]benzamide CAS Name: 3-(tert-butylsulfamoyl)-5-(cyclobutylamino)-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 3-(tert-butylsulfamoyl)-5-(cyclobutylamino)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 3-(tert-butylsulfamoyl)-5-(cyclobutylamino)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]benzamide Formula: C22H37N4O3S+ MolecularWeight: 437.61918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NC2CCC2)C(=O)NCC3CCC[NH+](C3)C

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NC2CCC2)C(=O)NC[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C22H36N4O3S/c1-22(2,3)25-30(28,29)20-12-17(11-19(13-20)24-18-8-5-9-18)21(27)23-14-16-7-6-10-26(4)15-16/h11-13,16,18,24-25H,5-10,14-15H2,1-4H3,(H,23,27)/p+1/t16-/m1/s1