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

Systemtic Name: 2,2-dimethyl-4-[7-(octanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[7-(octanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[7-(1-oxooctylamino)-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[7-(octanoylamino)dibenzofuran-2-yl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 4-[7-(caprylylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C27H34N2O6S2 MolecularWeight: 546.69866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O6S2/c1-4-5-6-7-8-9-24(30)28-18-10-12-20-21-17-19(11-13-22(21)35-23(20)16-18)37(33,34)29-14-15-36-27(2,3)25(29)26(31)32/h10-13,16-17,25H,4-9,14-15H2,1-3H3,(H,28,30)(H,31,32)