3-(methylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3-(methylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-(methylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-(methylsulfamoyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-(methylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-(methylsulfamoyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-22-28(26,27)20-7-5-6-19(14-20)21(25)23-15-17-8-10-18(11-9-17)16-24-12-3-2-4-13-24/h5-11,14,22H,2-4,12-13,15-16H2,1H3,(H,23,25)/p+1