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

Systemtic Name: 3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-(diethylsulfamoyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-(diethylsulfamoyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O3S/c1-3-27(4-2)31(29,30)23-10-8-9-22(17-23)24(28)25-18-20-11-13-21(14-12-20)19-26-15-6-5-7-16-26/h8-14,17H,3-7,15-16,18-19H2,1-2H3,(H,25,28)/p+1