3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

Systemtic Name: 3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid Openeye Name: 3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid CAS Name: 3-[3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid IUPAC Name: 3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid Traditional Name: 3-[3-(4-pyrrolidinosulfonylphenyl)-1,2,4-oxadiazol-5-yl]propionic acid Formula: C15H17N3O5S MolecularWeight: 351.37758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)CCC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)CCC(=O)O

InChI

InChI=1S/C15H17N3O5S/c19-14(20)8-7-13-16-15(17-23-13)11-3-5-12(6-4-11)24(21,22)18-9-1-2-10-18/h3-6H,1-2,7-10H2,(H,19,20)