ethyl 1-(5-ethylthiophen-2-yl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(5-ethylthiophen-2-yl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-ethyl-2-thienyl)sulfonyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[(5-ethyl-2-thiophenyl)sulfonyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-ethylthiophen-2-yl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-[(5-ethyl-2-thienyl)sulfonyl]-4-[3-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C22H26F3NO4S2 MolecularWeight: 489.57135

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)S(=O)(=O)N2CCC(CC2)(CC3=CC(=CC=C3)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(S1)S(=O)(=O)N2CCC(CC2)(CC3=CC(=CC=C3)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C22H26F3NO4S2/c1-3-18-8-9-19(31-18)32(28,29)26-12-10-21(11-13-26,20(27)30-4-2)15-16-6-5-7-17(14-16)22(23,24)25/h5-9,14H,3-4,10-13,15H2,1-2H3