2-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(3-methylsulfonyl-1-oxopropyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(3-mesylpropanoyl)piperazino]acetic acid Formula: C10H18N2O5S MolecularWeight: 278.32532

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)N1CCN(CC1)CC(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(=O)N1CCN(CC1)CC(=O)O

InChI

InChI=1S/C10H18N2O5S/c1-18(16,17)7-2-9(13)12-5-3-11(4-6-12)8-10(14)15/h2-8H2,1H3,(H,14,15)