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

Systemtic Name: 2-[(3-ethanoylphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(3-acetyl-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(3-acetyl-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(3-acetyl-N-mesyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)C

InChI

InChI=1S/C18H27N3O4S/c1-15(22)16-7-5-8-17(13-16)21(26(2,24)25)14-18(23)19-9-6-12-20-10-3-4-11-20/h5,7-8,13H,3-4,6,9-12,14H2,1-2H3,(H,19,23)/p+1