4-[[methylsulfonyl(phenyl)amino]methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[[methylsulfonyl(phenyl)amino]methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[(N-methylsulfonylanilino)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[(N-methylsulfonylanilino)methyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[(N-methylsulfonylanilino)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[(N-mesylanilino)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCCC[NH+]2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCCC[NH+]2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-29(27,28)25(21-8-3-2-4-9-21)18-19-10-12-20(13-11-19)22(26)23-14-7-17-24-15-5-6-16-24/h2-4,8-13H,5-7,14-18H2,1H3,(H,23,26)/p+1