4-methylsulfanyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]butyric acid Formula: C17H22F3N3O3S MolecularWeight: 405.43509

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H22F3N3O3S/c1-27-10-5-14(15(24)25)21-16(26)23-8-6-22(7-9-23)13-4-2-3-12(11-13)17(18,19)20/h2-4,11,14H,5-10H2,1H3,(H,21,26)(H,24,25)