N-[(2S)-2-ethylhexyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-2-ethylhexyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(2S)-2-ethylhexyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-2-ethylhexyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[(2S)-2-ethylhexyl]acetamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-3-5-9-18(4-2)16-21-20(24)17-22-12-14-23(15-13-22)27(25,26)19-10-7-6-8-11-19/h6-8,10-11,18H,3-5,9,12-17H2,1-2H3,(H,21,24)/p+1/t18-/m0/s1