2-methyl-2-[5-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentylsulfanyl]propanoic acid

Systemtic Name: 2-methyl-2-[5-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentylsulfanyl]propanoic acid Openeye Name: 2-methyl-2-[5-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentylsulfanyl]propanoic acid CAS Name: 2-methyl-2-[5-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentylthio]propanoic acid IUPAC Name: 2-methyl-2-[5-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentylsulfanyl]propanoic acid Traditional Name: 2-methyl-2-[5-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentylthio]propionic acid Formula: C16H22F3NO4S2 MolecularWeight: 413.47539

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SCCCCCNS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(C)(C(=O)O)SCCCCCNS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C16H22F3NO4S2/c1-15(2,14(21)22)25-10-5-3-4-9-20-26(23,24)13-8-6-7-12(11-13)16(17,18)19/h6-8,11,20H,3-5,9-10H2,1-2H3,(H,21,22)