(2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-phenyl-acetamide CAS Name: (2S)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)-2-phenylacetamide IUPAC Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-phenylacetamide Traditional Name: (2S)-2-(4-mesylpiperazin-1-ium-1-yl)-2-phenyl-acetamide Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)N

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C13H19N3O3S/c1-20(18,19)16-9-7-15(8-10-16)12(13(14)17)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,14,17)/p+1/t12-/m0/s1