(5-aminocarbonyl-1H-imidazol-4-yl) ethanesulfonate

Systemtic Name: (5-aminocarbonyl-1H-imidazol-4-yl) ethanesulfonate Openeye Name: (5-carbamoyl-1H-imidazol-4-yl) ethanesulfonate CAS Name: ethanesulfonic acid (5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) ethanesulfonate Traditional Name: ethanesulfonic acid (5-carbamoyl-1H-imidazol-4-yl) ester Formula: C6H9N3O4S MolecularWeight: 219.21836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(NC=N1)C(=O)N

Isomeric SMILES

CCS(=O)(=O)OC1=C(NC=N1)C(=O)N

InChI

InChI=1S/C6H9N3O4S/c1-2-14(11,12)13-6-4(5(7)10)8-3-9-6/h3H,2H2,1H3,(H2,7,10)(H,8,9)