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

Systemtic Name: 2-(4-butylsulfonyl-3-ethoxycarbonyl-2-oxidanylidene-piperazin-1-yl)ethanoate Openeye Name: 2-(4-butylsulfonyl-3-ethoxycarbonyl-2-oxo-piperazin-1-yl)acetate CAS Name: 2-(4-butylsulfonyl-3-ethoxycarbonyl-2-oxo-1-piperazinyl)acetate IUPAC Name: 2-(4-butylsulfonyl-3-ethoxycarbonyl-2-oxopiperazin-1-yl)acetate Traditional Name: 2-(4-butylsulfonyl-3-carbethoxy-2-keto-piperazino)acetate Formula: C13H21N2O7S- MolecularWeight: 349.38004

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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)/p-1