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

Systemtic Name: 4-[7-(2,2-dimethylpentanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[7-(2,2-dimethylpentanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[[7-[(2,2-dimethyl-1-oxopentyl)amino]-2-dibenzofuranyl]sulfonyl]-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[7-(2,2-dimethylpentanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[7-(2,2-dimethylpentanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C26H32N2O6S2 MolecularWeight: 532.67208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O6S2/c1-6-11-25(2,3)24(31)27-16-7-9-18-19-15-17(8-10-20(19)34-21(18)14-16)36(32,33)28-12-13-35-26(4,5)22(28)23(29)30/h7-10,14-15,22H,6,11-13H2,1-5H3,(H,27,31)(H,29,30)