ethyl 1-[1-[bis(fluoranyl)methyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[bis(fluoranyl)methyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(difluoromethyl)-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[[1-(difluoromethyl)-3,5-dimethyl-4-pyrazolyl]sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[1-(difluoromethyl)-3,5-dimethyl-pyrazol-4-yl]sulfonylnipecotic acid ethyl ester Formula: C14H21F2N3O4S MolecularWeight: 365.396046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(N(N=C2C)C(F)F)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(N(N=C2C)C(F)F)C

InChI

InChI=1S/C14H21F2N3O4S/c1-4-23-13(20)11-6-5-7-18(8-11)24(21,22)12-9(2)17-19(10(12)3)14(15)16/h11,14H,4-8H2,1-3H3