3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 3-(m-tolylsulfamoyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 3-[(3-methylphenyl)sulfamoyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 3-(m-tolylsulfamoyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O3S/c1-17-7-4-9-19(15-17)23-28(26,27)20-10-5-8-18(16-20)21(25)22-11-6-14-24-12-2-3-13-24/h4-5,7-10,15-16,23H,2-3,6,11-14H2,1H3,(H,22,25)/p+1