ethyl 1-thiophen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-thiophen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2-thienylsulfonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-thiophen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)-4-[3-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C20H22F3NO4S2 MolecularWeight: 461.51819

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=CS2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=CS2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3NO4S2/c1-2-28-18(25)19(14-15-5-3-6-16(13-15)20(21,22)23)8-10-24(11-9-19)30(26,27)17-7-4-12-29-17/h3-7,12-13H,2,8-11,14H2,1H3