2-[[2-[(4-fluorophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[2-[(4-fluorophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[2-[(4-fluorophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid CAS Name: 2-[[2-[(4-fluorophenyl)methyl]-3-mercapto-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-[(4-fluorophenyl)methyl]-3-sulfanylpropanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-(4-fluorobenzyl)-3-mercapto-propanoyl]amino]ethanesulfonic acid Formula: C12H16FNO4S2 MolecularWeight: 321.388143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CS)C(=O)NCCS(=O)(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CC(CS)C(=O)NCCS(=O)(=O)O)F

InChI

InChI=1S/C12H16FNO4S2/c13-11-3-1-9(2-4-11)7-10(8-19)12(15)14-5-6-20(16,17)18/h1-4,10,19H,5-8H2,(H,14,15)(H,16,17,18)