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

Systemtic Name: 4-(dimethylsulfamoyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(dimethylsulfamoyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(dimethylsulfamoyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(dimethylsulfamoyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(dimethylsulfamoyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O3S/c1-23(2)28(26,27)20-11-9-17(10-12-20)21(25)22-15-18-7-3-4-8-19(18)16-24-13-5-6-14-24/h3-4,7-12H,5-6,13-16H2,1-2H3,(H,22,25)/p+1