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

Systemtic Name: 6-oxidanylidene-4-(2-pyridin-2-ylethylcarbamoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 6-oxo-4-[2-(2-pyridyl)ethylcarbamoyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 6-oxo-4-[oxo-[2-(2-pyridinyl)ethylamino]methyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 6-oxo-4-(2-pyridin-2-ylethylcarbamoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 6-keto-4-[2-(2-pyridyl)ethylcarbamoyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C13H16N4O5S MolecularWeight: 340.35494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)NCCC3=CC=CC=N3

Isomeric SMILES

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)NCCC3=CC=CC=N3

InChI

InChI=1S/C13H16N4O5S/c18-12-11-10(17(12)23(20,21)22)5-8-16(11)13(19)15-7-4-9-3-1-2-6-14-9/h1-3,6,10-11H,4-5,7-8H2,(H,15,19)(H,20,21,22)