2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C16H25ClN3O3S+ MolecularWeight: 374.906

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H24ClN3O3S/c1-24(22,23)20(15-7-4-6-14(17)12-15)13-16(21)18-8-5-11-19-9-2-3-10-19/h4,6-7,12H,2-3,5,8-11,13H2,1H3,(H,18,21)/p+1