ethyl 4-[4-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[4-(trifluoromethylsulfanyl)benzoyl]amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-4-[[oxo-[4-(trifluoromethylthio)phenyl]methyl]amino]butyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[4-(trifluoromethylsulfanyl)benzoyl]amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[[4-(trifluoromethylthio)benzoyl]amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C20H26F3N3O4S MolecularWeight: 461.49835

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C20H26F3N3O4S/c1-2-30-19(29)26-12-9-15(10-13-26)25-17(27)4-3-11-24-18(28)14-5-7-16(8-6-14)31-20(21,22)23/h5-8,15H,2-4,9-13H2,1H3,(H,24,28)(H,25,27)