2-(4-butylsulfonyl-3-ethoxycarbonyl-2-oxidanylidene-piperazin-1-yl)ethanoic acid

Systemtic Name: 2-(4-butylsulfonyl-3-ethoxycarbonyl-2-oxidanylidene-piperazin-1-yl)ethanoic acid Openeye Name: 2-(4-butylsulfonyl-3-ethoxycarbonyl-2-oxo-piperazin-1-yl)acetic acid CAS Name: 2-(4-butylsulfonyl-3-ethoxycarbonyl-2-oxo-1-piperazinyl)acetic acid IUPAC Name: 2-(4-butylsulfonyl-3-ethoxycarbonyl-2-oxopiperazin-1-yl)acetic acid Traditional Name: 2-(4-butylsulfonyl-3-carbethoxy-2-keto-piperazino)acetic acid Formula: C13H22N2O7S MolecularWeight: 350.38798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCN(C(=O)C1C(=O)OCC)CC(=O)O

Isomeric SMILES

CCCCS(=O)(=O)N1CCN(C(=O)C1C(=O)OCC)CC(=O)O

InChI

InChI=1S/C13H22N2O7S/c1-3-5-8-23(20,21)15-7-6-14(9-10(16)17)12(18)11(15)13(19)22-4-2/h11H,3-9H2,1-2H3,(H,16,17)