sodium (2-azanylpropanoylamino) 2-oxidanylideneazetidine-1-sulfonate ethanoate

Systemtic Name: sodium (2-azanylpropanoylamino) 2-oxidanylideneazetidine-1-sulfonate ethanoate Openeye Name: sodium (2-aminopropanoylamino) 2-oxoazetidine-1-sulfonate acetate CAS Name: sodium 2-oxo-1-azetidinesulfonic acid [(2-amino-1-oxopropyl)amino] ester acetate IUPAC Name: sodium (2-aminopropanoylamino) 2-oxoazetidine-1-sulfonate acetate Traditional Name: sodium 2-ketoazetidine-1-sulfonic acid (alanylamino) ester acetate Formula: C8H14N3NaO7S MolecularWeight: 319.26743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NOS(=O)(=O)N1CCC1=O)N.CC(=O)[O-].[Na+]

Isomeric SMILES

CC(C(=O)NOS(=O)(=O)N1CCC1=O)N.CC(=O)[O-].[Na+]

InChI

InChI=1S/C6H11N3O5S.C2H4O2.Na/c1-4(7)6(11)8-14-15(12,13)9-3-2-5(9)10;1-2(3)4;/h4H,2-3,7H2,1H3,(H,8,11);1H3,(H,3,4);/q;;+1/p-1