4-(2-azanyl-2-phenyl-ethanoyl)-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid

Systemtic Name: 4-(2-azanyl-2-phenyl-ethanoyl)-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 4-(2-amino-2-phenyl-acetyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 4-(2-amino-1-oxo-2-phenylethyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 4-(2-amino-2-phenylacetyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 4-(2-amino-2-phenyl-acetyl)-6-keto-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C13H15N3O5S MolecularWeight: 325.3403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)C(C3=CC=CC=C3)N

Isomeric SMILES

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)C(C3=CC=CC=C3)N

InChI

InChI=1S/C13H15N3O5S/c14-10(8-4-2-1-3-5-8)12(17)15-7-6-9-11(15)13(18)16(9)22(19,20)21/h1-5,9-11H,6-7,14H2,(H,19,20,21)