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

Systemtic Name: 4-[7-(hexadecanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[7-(hexadecanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[7-(1-oxohexadecylamino)-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[7-(hexadecanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-(7-palmitamidodibenzofuran-2-yl)sulfonyl-thiomorpholine-3-carboxylic acid Formula: C35H50N2O6S2 MolecularWeight: 658.9113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H50N2O6S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32(38)36-26-18-20-28-29-25-27(19-21-30(29)43-31(28)24-26)45(41,42)37-22-23-44-35(2,3)33(37)34(39)40/h18-21,24-25,33H,4-17,22-23H2,1-3H3,(H,36,38)(H,39,40)