N-ethyl-2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-ethyl-2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: 2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-ethyl-acetamide CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-ethylacetamide IUPAC Name: 2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-ethylacetamide Traditional Name: 2-[[2-(4-besylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethyl-acetamide Formula: C16H25N4O4S+ MolecularWeight: 369.4591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4S/c1-2-17-15(21)12-18-16(22)13-19-8-10-20(11-9-19)25(23,24)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,17,21)(H,18,22)/p+1