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

Systemtic Name: 6-oxidanylidene-4-(3-phenylpropanoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 6-oxo-4-(3-phenylpropanoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 6-oxo-4-(1-oxo-3-phenylpropyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 6-oxo-4-(3-phenylpropanoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 4-hydrocinnamoyl-6-keto-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C14H16N2O5S/c17-12(7-6-10-4-2-1-3-5-10)15-9-8-11-13(15)14(18)16(11)22(19,20)21/h1-5,11,13H,6-9H2,(H,19,20,21)