2-[(2-fluorophenyl)-methylsulfonyl-amino]-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2-fluorophenyl)-methylsulfonyl-amino]-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(2-fluoro-N-methylsulfonyl-anilino)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(1-piperidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(2-fluoro-N-methylsulfonylanilino)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(2-fluoro-N-mesyl-anilino)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Formula: C17H27FN3O3S+ MolecularWeight: 372.477983

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)C2=CC=CC=C2F

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)C2=CC=CC=C2F

InChI

InChI=1S/C17H26FN3O3S/c1-25(23,24)21(16-9-4-3-8-15(16)18)14-17(22)19-10-7-13-20-11-5-2-6-12-20/h3-4,8-9H,2,5-7,10-14H2,1H3,(H,19,22)/p+1