4-[[(2S)-butan-2-yl]sulfamoyl]-N-(1-methylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-[[(2S)-butan-2-yl]sulfamoyl]-N-(1-methylpiperidin-1-ium-4-yl)benzamide Openeye Name: N-(1-methylpiperidin-1-ium-4-yl)-4-[[(1S)-1-methylpropyl]sulfamoyl]benzamide CAS Name: 4-[[(2S)-butan-2-yl]sulfamoyl]-N-(1-methyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-[[(2S)-butan-2-yl]sulfamoyl]-N-(1-methylpiperidin-1-ium-4-yl)benzamide Traditional Name: N-(1-methylpiperidin-1-ium-4-yl)-4-[[(1S)-1-methylpropyl]sulfamoyl]benzamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)C

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)C

InChI

InChI=1S/C17H27N3O3S/c1-4-13(2)19-24(22,23)16-7-5-14(6-8-16)17(21)18-15-9-11-20(3)12-10-15/h5-8,13,15,19H,4,9-12H2,1-3H3,(H,18,21)/p+1/t13-/m0/s1