5-[(E)-3-phenylprop-2-enoyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid

Systemtic Name: 5-[(E)-3-phenylprop-2-enoyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 5-[(E)-3-phenylprop-2-enoyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 5-[(E)-1-oxo-3-phenylprop-2-enyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 5-[(E)-3-phenylprop-2-enoyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 5-[(E)-3-phenylacryloyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2(C1N(C2)S(=O)(=O)O)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CNC2(C1N(C2)S(=O)(=O)O)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C14H16N2O4S/c17-13(7-6-11-4-2-1-3-5-11)14-10-16(21(18,19)20)12(14)8-9-15-14/h1-7,12,15H,8-10H2,(H,18,19,20)/b7-6+