2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[4-(1-azepanylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]acetate Formula: C16H18N3O5S2- MolecularWeight: 396.46122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)[O-]

InChI

InChI=1S/C16H19N3O5S2/c20-14(21)11-25-16-18-17-15(24-16)12-5-7-13(8-6-12)26(22,23)19-9-3-1-2-4-10-19/h5-8H,1-4,9-11H2,(H,20,21)/p-1