sodium 2-[[2-[(4-fluorophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[[2-[(4-fluorophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonate Openeye Name: sodium 2-[[2-[(4-fluorophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonate CAS Name: sodium 2-[[2-[(4-fluorophenyl)methyl]-3-mercapto-1-oxopropyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[2-[(4-fluorophenyl)methyl]-3-sulfanylpropanoyl]amino]ethanesulfonate Traditional Name: sodium 2-[[2-(4-fluorobenzyl)-3-mercapto-propanoyl]amino]ethanesulfonate Formula: C12H15FNNaO4S2 MolecularWeight: 343.369973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CS)C(=O)NCCS(=O)(=O)[O-])F.[Na+]

Isomeric SMILES

C1=CC(=CC=C1CC(CS)C(=O)NCCS(=O)(=O)[O-])F.[Na+]

InChI

InChI=1S/C12H16FNO4S2.Na/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);/q;+1/p-1