3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]propanoic acid

Systemtic Name: 3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]propanoic acid Openeye Name: 3-[3-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid CAS Name: 3-[3-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid IUPAC Name: 3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]propanoic acid Traditional Name: 3-[3-[4-(4-methylpiperidino)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]propionic acid Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)CCC(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)CCC(=O)O

InChI

InChI=1S/C17H21N3O5S/c1-12-8-10-20(11-9-12)26(23,24)14-4-2-13(3-5-14)17-18-15(25-19-17)6-7-16(21)22/h2-5,12H,6-11H2,1H3,(H,21,22)