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

Systemtic Name: 3-(tert-butylsulfamoyl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-5-(phenethylamino)benzamide Openeye Name: 3-(tert-butylsulfamoyl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-5-(phenethylamino)benzamide CAS Name: 3-(tert-butylsulfamoyl)-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-5-(phenethylamino)benzamide IUPAC Name: 3-(tert-butylsulfamoyl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-5-(phenethylamino)benzamide Traditional Name: 3-(tert-butylsulfamoyl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-5-(phenethylamino)benzamide Formula: C26H39N4O3S+ MolecularWeight: 487.67786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCCC2=CC=CC=C2)C(=O)NCC3CCC[NH+](C3)C

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCCC2=CC=CC=C2)C(=O)NC[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C26H38N4O3S/c1-26(2,3)29-34(32,33)24-16-22(25(31)28-18-21-11-8-14-30(4)19-21)15-23(17-24)27-13-12-20-9-6-5-7-10-20/h5-7,9-10,15-17,21,27,29H,8,11-14,18-19H2,1-4H3,(H,28,31)/p+1/t21-/m1/s1