N-propan-2-yl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-propan-2-yl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-isopropyl-2-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: 2-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]amino]-N-propan-2-ylacetamide IUPAC Name: N-propan-2-yl-2-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-isopropyl-2-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Formula: C15H25N4O4S2+ MolecularWeight: 389.5134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)NC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C15H24N4O4S2/c1-12(2)17-13(20)10-16-14(21)11-18-5-7-19(8-6-18)25(22,23)15-4-3-9-24-15/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,16,21)(H,17,20)/p+1