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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-3-(1-methylsulfonyl-4-piperidyl)-5-oxo-1,2,4-triazol-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-3-(1-methylsulfonyl-4-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide Traditional Name: 2-[5-keto-3-(1-mesyl-4-piperidyl)-4-methyl-1,2,4-triazol-1-yl]-N-piperonyl-acetamide Formula: C19H25N5O6S MolecularWeight: 451.4967

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C19H25N5O6S/c1-22-18(14-5-7-23(8-6-14)31(2,27)28)21-24(19(22)26)11-17(25)20-10-13-3-4-15-16(9-13)30-12-29-15/h3-4,9,14H,5-8,10-12H2,1-2H3,(H,20,25)