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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-methyl-3-(1-methylsulfonyl-3-piperidyl)-5-oxo-1,2,4-triazol-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-methyl-3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[5-keto-3-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-1-yl]acetamide Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC(=O)NC2=CC3=C(C=C2)OCO3)C4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC(=O)NC2=CC3=C(C=C2)OCO3)C4CCCN(C4)S(=O)(=O)C

InChI

InChI=1S/C18H23N5O6S/c1-21-17(12-4-3-7-22(9-12)30(2,26)27)20-23(18(21)25)10-16(24)19-13-5-6-14-15(8-13)29-11-28-14/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,19,24)