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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-24(2)29(27,28)21-9-5-4-8-20(21)16-23-22(26)19-12-10-18(11-13-19)17-25-14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,23,26)/p+1