6-oxidanylidene-4-(2-pyridin-3-ylethanoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid

Systemtic Name: 6-oxidanylidene-4-(2-pyridin-3-ylethanoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 6-oxo-4-[2-(3-pyridyl)acetyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 6-oxo-4-[1-oxo-2-(3-pyridinyl)ethyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 6-oxo-4-(2-pyridin-3-ylacetyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 6-keto-4-[2-(3-pyridyl)acetyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)CC3=CN=CC=C3

Isomeric SMILES

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)CC3=CN=CC=C3

InChI

InChI=1S/C12H13N3O5S/c16-10(6-8-2-1-4-13-7-8)14-5-3-9-11(14)12(17)15(9)21(18,19)20/h1-2,4,7,9,11H,3,5-6H2,(H,18,19,20)