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

Systemtic Name: 6-oxidanylidene-4-(pyridin-2-ylmethylcarbamoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 6-oxo-4-(2-pyridylmethylcarbamoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 6-oxo-4-[oxo-(2-pyridinylmethylamino)methyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 6-oxo-4-(pyridin-2-ylmethylcarbamoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 6-keto-4-(2-pyridylmethylcarbamoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C12H14N4O5S MolecularWeight: 326.32836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C12H14N4O5S/c17-11-10-9(16(11)22(19,20)21)4-6-15(10)12(18)14-7-8-3-1-2-5-13-8/h1-3,5,9-10H,4,6-7H2,(H,14,18)(H,19,20,21)