(2S)-3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonyl-2-methyl-propanoic acid

Systemtic Name: (2S)-3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonyl-2-methyl-propanoic acid Openeye Name: (2S)-3-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2-methyl-propanoic acid CAS Name: (2S)-3-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]sulfonyl]-2-methylpropanoic acid IUPAC Name: (2S)-3-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2-methylpropanoic acid Traditional Name: (2S)-3-[4-(2-furoyl)piperazino]sulfonyl-2-methyl-propionic acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CO2)C(=O)O

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CO2)C(=O)O

InChI

InChI=1S/C13H18N2O6S/c1-10(13(17)18)9-22(19,20)15-6-4-14(5-7-15)12(16)11-3-2-8-21-11/h2-3,8,10H,4-7,9H2,1H3,(H,17,18)/t10-/m1/s1