3-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanoic acid

Systemtic Name: 3-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanoic acid Openeye Name: 3-[3-(p-tolylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid CAS Name: 3-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanoic acid IUPAC Name: 3-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]propanoic acid Traditional Name: 3-[3-(tosylmethyl)-1,2,4-oxadiazol-5-yl]propionic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NOC(=N2)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NOC(=N2)CCC(=O)O

InChI

InChI=1S/C13H14N2O5S/c1-9-2-4-10(5-3-9)21(18,19)8-11-14-12(20-15-11)6-7-13(16)17/h2-5H,6-8H2,1H3,(H,16,17)