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

Systemtic Name: 2-[(2-chlorophenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(2-chloro-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(2-chloro-N-methylsulfonylanilino)-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(2-chloro-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(2-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=C2Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)C2=CC=CC=C2Cl

InChI

InChI=1S/C16H24ClN3O3S/c1-24(22,23)20(15-8-3-2-7-14(15)17)13-16(21)18-9-6-12-19-10-4-5-11-19/h2-3,7-8H,4-6,9-13H2,1H3,(H,18,21)/p+1