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

Systemtic Name: methyl 2-[[5-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-[4-(1-piperidylsulfonyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[4-(1-piperidinylsulfonyl)phenyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-piperidinosulfonylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C16H20N4O4S2 MolecularWeight: 396.4844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C16H20N4O4S2/c1-24-14(21)11-25-16-17-15(18-19-16)12-5-7-13(8-6-12)26(22,23)20-9-3-2-4-10-20/h5-8H,2-4,9-11H2,1H3,(H,17,18,19)