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

Systemtic Name: 2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-pyrrolidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid Formula: C14H15N3O5S2 MolecularWeight: 369.416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)O

InChI

InChI=1S/C14H15N3O5S2/c18-12(19)9-23-14-16-15-13(22-14)10-3-5-11(6-4-10)24(20,21)17-7-1-2-8-17/h3-6H,1-2,7-9H2,(H,18,19)