ethyl 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]sulfonyl]piperidine-4-carboxylate CAS Name: 1-[[5-[1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenyl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]sulfonyl]isonipecotic acid ethyl ester Formula: C17H20F3N3O4S2 MolecularWeight: 451.48361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NN(C(=C3)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NN(C(=C3)C(F)(F)F)C

InChI

InChI=1S/C17H20F3N3O4S2/c1-3-27-16(24)11-6-8-23(9-7-11)29(25,26)15-5-4-13(28-15)12-10-14(17(18,19)20)22(2)21-12/h4-5,10-11H,3,6-9H2,1-2H3