2-(3-methylsulfonyl-5-phenyl-1,2,4-triazol-1-yl)-1-piperidin-1-yl-ethanone

Systemtic Name: 2-(3-methylsulfonyl-5-phenyl-1,2,4-triazol-1-yl)-1-piperidin-1-yl-ethanone Openeye Name: 2-(3-methylsulfonyl-5-phenyl-1,2,4-triazol-1-yl)-1-(1-piperidyl)ethanone CAS Name: 2-(3-methylsulfonyl-5-phenyl-1,2,4-triazol-1-yl)-1-(1-piperidinyl)ethanone IUPAC Name: 2-(3-methylsulfonyl-5-phenyl-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone Traditional Name: 2-(3-mesyl-5-phenyl-1,2,4-triazol-1-yl)-1-piperidino-ethanone Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN(C(=N1)C2=CC=CC=C2)CC(=O)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=NN(C(=N1)C2=CC=CC=C2)CC(=O)N3CCCCC3

InChI

InChI=1S/C16H20N4O3S/c1-24(22,23)16-17-15(13-8-4-2-5-9-13)20(18-16)12-14(21)19-10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-12H2,1H3