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

Systemtic Name: 4-[7-(dodecanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[7-(dodecanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[7-(1-oxododecylamino)-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[7-(dodecanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[7-(lauroylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C31H42N2O6S2 MolecularWeight: 602.80498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O6S2/c1-4-5-6-7-8-9-10-11-12-13-28(34)32-22-14-16-24-25-21-23(15-17-26(25)39-27(24)20-22)41(37,38)33-18-19-40-31(2,3)29(33)30(35)36/h14-17,20-21,29H,4-13,18-19H2,1-3H3,(H,32,34)(H,35,36)