4-chloranyl-3-[(4-methylphenyl)sulfamoyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 4-chloranyl-3-[(4-methylphenyl)sulfamoyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 4-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-3-(p-tolylsulfamoyl)benzamide CAS Name: 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-3-(p-tolylsulfamoyl)benzamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC[NH+]3CCOCC3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC[NH+]3CCOCC3)Cl

InChI

InChI=1S/C21H26ClN3O4S/c1-16-3-6-18(7-4-16)24-30(27,28)20-15-17(5-8-19(20)22)21(26)23-9-2-10-25-11-13-29-14-12-25/h3-8,15,24H,2,9-14H2,1H3,(H,23,26)/p+1