N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C17H20ClN2O3S2+ MolecularWeight: 399.9353

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCC[C@H]2C3=CC=CS3

InChI

InChI=1S/C17H19ClN2O3S2/c1-25(22,23)12-6-7-13(18)14(10-12)19-17(21)11-20-8-2-4-15(20)16-5-3-9-24-16/h3,5-7,9-10,15H,2,4,8,11H2,1H3,(H,19,21)/p+1/t15-/m0/s1