N-[(2R)-3-methylbutan-2-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2R)-3-methylbutan-2-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-1,2-dimethylpropyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(2R)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[(1R)-1,2-dimethylpropyl]acetamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C(C)C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H27N3O3S/c1-14(2)15(3)18-17(21)13-19-9-11-20(12-10-19)24(22,23)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,18,21)/p+1/t15-/m1/s1