1-hex-4-yn-3-yloxy-3-methyl-5-oxidanylidene-2-(phenylsulfonyl)piperazine-2-carboxylic acid

Systemtic Name: 1-hex-4-yn-3-yloxy-3-methyl-5-oxidanylidene-2-(phenylsulfonyl)piperazine-2-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-1-(1-ethylbut-2-ynoxy)-3-methyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 2-(benzenesulfonyl)-1-hex-4-yn-3-yloxy-3-methyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-1-hex-4-yn-3-yloxy-3-methyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 2-besyl-1-(1-ethylbut-2-ynoxy)-5-keto-3-methyl-piperazine-2-carboxylic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)ON1CC(=O)NC(C1(C(=O)O)S(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCC(C#CC)ON1CC(=O)NC(C1(C(=O)O)S(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C18H22N2O6S/c1-4-9-14(5-2)26-20-12-16(21)19-13(3)18(20,17(22)23)27(24,25)15-10-7-6-8-11-15/h6-8,10-11,13-14H,5,12H2,1-3H3,(H,19,21)(H,22,23)