ethyl 1-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(difluoromethyl)-5-methyl-pyrazol-4-yl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[[1-(difluoromethyl)-5-methyl-4-pyrazolyl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[1-(difluoromethyl)-5-methyl-pyrazol-4-yl]sulfonylisonipecotic acid ethyl ester Formula: C13H19F2N3O4S MolecularWeight: 351.369466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(N(N=C2)C(F)F)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(N(N=C2)C(F)F)C

InChI

InChI=1S/C13H19F2N3O4S/c1-3-22-12(19)10-4-6-17(7-5-10)23(20,21)11-8-16-18(9(11)2)13(14)15/h8,10,13H,3-7H2,1-2H3