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

Systemtic Name: N-[(2S)-heptan-2-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylhexyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(2S)-heptan-2-yl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-heptan-2-yl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[(1S)-1-methylhexyl]acetamide Formula: C19H32N3O3S+ MolecularWeight: 382.54068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O3S/c1-3-4-6-9-17(2)20-19(23)16-21-12-14-22(15-13-21)26(24,25)18-10-7-5-8-11-18/h5,7-8,10-11,17H,3-4,6,9,12-16H2,1-2H3,(H,20,23)/p+1/t17-/m0/s1