(phenylmethyl) 2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoate Openeye Name: benzyl 2-[4-methyl-3-(1-methylsulfonyl-3-piperidyl)-5-oxo-1,2,4-triazol-1-yl]acetate CAS Name: 2-[4-methyl-3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[5-keto-3-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-1-yl]acetic acid benzyl ester Formula: C18H24N4O5S MolecularWeight: 408.47196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC(=O)OCC2=CC=CC=C2)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC(=O)OCC2=CC=CC=C2)C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C18H24N4O5S/c1-20-17(15-9-6-10-21(11-15)28(2,25)26)19-22(18(20)24)12-16(23)27-13-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3