2-[[4-(2-methoxyphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-methoxyphenyl)-5-[4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-methoxyphenyl)-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-methoxyphenyl)-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C22H23N4O5S2- MolecularWeight: 487.57182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H24N4O5S2/c1-31-19-8-4-3-7-18(19)26-21(23-24-22(26)32-15-20(27)28)16-9-11-17(12-10-16)33(29,30)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,27,28)/p-1