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

Systemtic Name: 2-[methylsulfonyl(phenyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(N-methylsulfonylanilino)-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(N-mesylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C16H26N3O3S+ MolecularWeight: 340.46094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S/c1-23(21,22)19(15-8-3-2-4-9-15)14-16(20)17-10-7-13-18-11-5-6-12-18/h2-4,8-9H,5-7,10-14H2,1H3,(H,17,20)/p+1