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

Systemtic Name: 2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-methyl-3-(1-methylsulfonyl-4-piperidyl)-5-oxo-1,2,4-triazol-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-methyl-3-(1-methylsulfonyl-4-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenethylacetamide Traditional Name: 2-[5-keto-3-(1-mesyl-4-piperidyl)-4-methyl-1,2,4-triazol-1-yl]-N-phenethyl-acetamide Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC(=O)NCCC2=CC=CC=C2)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC(=O)NCCC2=CC=CC=C2)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H27N5O4S/c1-22-18(16-9-12-23(13-10-16)29(2,27)28)21-24(19(22)26)14-17(25)20-11-8-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,20,25)