3-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(5-methylisoxazol-3-yl)methylsulfonyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-methyl-3-isoxazolyl)methylsulfonyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(5-methylisoxazol-3-yl)methylsulfonyl]piperazino]propionic acid Formula: C12H19N3O5S MolecularWeight: 317.36136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CS(=O)(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=CC(=NO1)CS(=O)(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C12H19N3O5S/c1-10-8-11(13-20-10)9-21(18,19)15-6-4-14(5-7-15)3-2-12(16)17/h8H,2-7,9H2,1H3,(H,16,17)