N-methyl-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-methyl-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: 2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-methyl-acetamide CAS Name: N-methyl-2-[[1-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethyl]amino]acetamide IUPAC Name: 2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-methylacetamide Traditional Name: 2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-methyl-acetamide Formula: C16H25N4O4S+ MolecularWeight: 369.4591

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H24N4O4S/c1-17-15(21)11-18-16(22)12-19-7-9-20(10-8-19)25(23,24)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,17,21)(H,18,22)/p+1