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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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