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

Systemtic Name: ethyl 1-thiophen-3-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(3-thienylsulfonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-(3-thiophenylsulfonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-thiophen-3-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(3-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=CSC=C2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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