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

Systemtic Name: 2-[[2,3-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(2,3-dichloro-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(2,3-dichloro-N-mesyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C16H24Cl2N3O3S+ MolecularWeight: 409.35106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23Cl2N3O3S/c1-25(23,24)21(14-7-4-6-13(17)16(14)18)12-15(22)19-8-5-11-20-9-2-3-10-20/h4,6-7H,2-3,5,8-12H2,1H3,(H,19,22)/p+1