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

Systemtic Name: ethyl 1-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]sulfonylisonipecotic acid ethyl ester Formula: C19H24FN3O4S MolecularWeight: 409.474963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C19H24FN3O4S/c1-4-27-19(24)15-9-11-22(12-10-15)28(25,26)18-13(2)21-23(14(18)3)17-7-5-16(20)6-8-17/h5-8,15H,4,9-12H2,1-3H3