4-[(4-methylphenyl)sulfonylamino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[(4-methylphenyl)sulfonylamino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-(p-tolylsulfonylamino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[(4-methylphenyl)sulfonylamino]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[(4-methylphenyl)sulfonylamino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: N-(3-pyrrolidin-1-ium-1-ylpropyl)-4-(tosylamino)benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O3S/c1-17-5-11-20(12-6-17)28(26,27)23-19-9-7-18(8-10-19)21(25)22-13-4-16-24-14-2-3-15-24/h5-12,23H,2-4,13-16H2,1H3,(H,22,25)/p+1