(E)-7-[3-[[2-(phenylsulfonylamino)ethanoylamino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[3-[[2-(phenylsulfonylamino)ethanoylamino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Openeye Name: (E)-7-[3-[[[2-(benzenesulfonamido)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid CAS Name: (E)-7-[3-[[[2-(benzenesulfonamido)-1-oxoethyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid IUPAC Name: (E)-7-[3-[[[2-(benzenesulfonamido)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Traditional Name: (E)-7-[3-[[[2-(benzenesulfonamido)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)CC=CCCCC(=O)O)CNC(=O)CNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC2C(C(C1O2)C/C=C/CCCC(=O)O)CNC(=O)CNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H30N2O6S/c25-21(15-24-31(28,29)16-8-4-3-5-9-16)23-14-18-17(19-12-13-20(18)30-19)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,17-20,24H,2,7,10-15H2,(H,23,25)(H,26,27)/b6-1+