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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=CC=C(C=C2)C(=O)OC)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC2=CC=C(C=C2)C(=O)OC)C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C18H24N4O5S/c1-20-16(15-5-4-10-21(12-15)28(3,25)26)19-22(18(20)24)11-13-6-8-14(9-7-13)17(23)27-2/h6-9,15H,4-5,10-12H2,1-3H3