2,2-dimethyl-4-[7-(nonanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-[7-(nonanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[7-(nonanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[7-(1-oxononylamino)-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[7-(nonanoylamino)dibenzofuran-2-yl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[7-(pelargonylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C28H36N2O6S2 MolecularWeight: 560.72524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NC1=CC2=C(C=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCSC(C4C(=O)O)(C)C

Isomeric SMILES

CCCCCCCCC(=O)NC1=CC2=C(C=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCSC(C4C(=O)O)(C)C

InChI

InChI=1S/C28H36N2O6S2/c1-4-5-6-7-8-9-10-25(31)29-19-11-13-21-22-18-20(12-14-23(22)36-24(21)17-19)38(34,35)30-15-16-37-28(2,3)26(30)27(32)33/h11-14,17-18,26H,4-10,15-16H2,1-3H3,(H,29,31)(H,32,33)