3-(aminomethyl)-5-[4-(trifluoromethyl)phenyl]sulfanyl-pentanoic acid

Systemtic Name: 3-(aminomethyl)-5-[4-(trifluoromethyl)phenyl]sulfanyl-pentanoic acid Openeye Name: 3-(aminomethyl)-5-[4-(trifluoromethyl)phenyl]sulfanyl-pentanoic acid CAS Name: 3-(aminomethyl)-5-[[4-(trifluoromethyl)phenyl]thio]pentanoic acid IUPAC Name: 3-(aminomethyl)-5-[4-(trifluoromethyl)phenyl]sulfanylpentanoic acid Traditional Name: 3-(aminomethyl)-5-[[4-(trifluoromethyl)phenyl]thio]valeric acid Formula: C13H16F3NO2S MolecularWeight: 307.33185

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)SCCC(CC(=O)O)CN

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)SCCC(CC(=O)O)CN

InChI

InChI=1S/C13H16F3NO2S/c14-13(15,16)10-1-3-11(4-2-10)20-6-5-9(8-17)7-12(18)19/h1-4,9H,5-8,17H2,(H,18,19)