4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-phenacyl-1,2,4-triazol-3-one

Systemtic Name: 4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-phenacyl-1,2,4-triazol-3-one Openeye Name: 4-methyl-5-(1-methylsulfonyl-3-piperidyl)-2-phenacyl-1,2,4-triazol-3-one CAS Name: 4-methyl-5-(1-methylsulfonyl-3-piperidinyl)-2-phenacyl-1,2,4-triazol-3-one IUPAC Name: 4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-phenacyl-1,2,4-triazol-3-one Traditional Name: 5-(1-mesyl-3-piperidyl)-4-methyl-2-phenacyl-1,2,4-triazol-3-one Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4S/c1-19-16(14-9-6-10-20(11-14)26(2,24)25)18-21(17(19)23)12-15(22)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3