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

Systemtic Name: 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]propanoic acid CAS Name: 3-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]propionic acid Formula: C12H19N3O5S MolecularWeight: 317.36136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C12H19N3O5S/c1-9-12(10(2)20-13-9)21(18,19)15-7-5-14(6-8-15)4-3-11(16)17/h3-8H2,1-2H3,(H,16,17)