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

Systemtic Name: 2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-methyl-3-(1-methylsulfonyl-4-piperidyl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[4-methyl-3-(1-methylsulfonyl-4-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[5-keto-3-(1-mesyl-4-piperidyl)-4-methyl-1,2,4-triazol-1-yl]-N-(4-nitrophenyl)acetamide Formula: C17H22N6O6S MolecularWeight: 438.45818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H22N6O6S/c1-20-16(12-7-9-21(10-8-12)30(2,28)29)19-22(17(20)25)11-15(24)18-13-3-5-14(6-4-13)23(26)27/h3-6,12H,7-11H2,1-2H3,(H,18,24)