(2R)-2-[[4-(6-fluoranylhex-1-ynyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[[4-(6-fluoranylhex-1-ynyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[4-(6-fluoranylhex-1-ynyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[4-(6-fluoranylhex-1-ynyl)phenyl]sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[4-(6-fluoranylhex-1-ynyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[4-(6-fluoranylhex-1-ynyl)phenyl]sulfonylamino]-4-(methylthio)butyric acid Formula: C17H22FNO4S2 MolecularWeight: 386.491818

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C#CCCCCF

Isomeric SMILES

CSCC[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C#CCCCC[18F]

InChI

InChI=1S/C17H22FNO4S2/c1-24-13-11-16(17(20)21)19-25(22,23)15-9-7-14(8-10-15)6-4-2-3-5-12-18/h7-10,16,19H,2-3,5,11-13H2,1H3,(H,20,21)/t16-/m1/s1/i18-1