N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[2-(methylsulfamoylmethyl)benzyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CNS(=O)(=O)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-23-29(27,28)17-21-8-4-3-7-20(21)15-24-22(26)19-11-9-18(10-12-19)16-25-13-5-2-6-14-25/h3-4,7-12,23H,2,5-6,13-17H2,1H3,(H,24,26)/p+1