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

Systemtic Name: (2S)-N-cyclopropyl-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-N-cyclopropyl-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-phenyl-acetamide CAS Name: (2S)-N-cyclopropyl-2-(4-methylsulfonyl-1-piperazin-1-iumyl)-2-phenylacetamide IUPAC Name: (2S)-N-cyclopropyl-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-phenylacetamide Traditional Name: (2S)-N-cyclopropyl-2-(4-mesylpiperazin-1-ium-1-yl)-2-phenyl-acetamide Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C16H23N3O3S/c1-23(21,22)19-11-9-18(10-12-19)15(13-5-3-2-4-6-13)16(20)17-14-7-8-14/h2-6,14-15H,7-12H2,1H3,(H,17,20)/p+1/t15-/m0/s1