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

Systemtic Name: 2,2-dimethyl-4-[7-(4-methylpentanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[7-(4-methylpentanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[7-[(4-methyl-1-oxopentyl)amino]-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[7-(4-methylpentanoylamino)dibenzofuran-2-yl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[7-(4-methylpentanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C25H30N2O6S2 MolecularWeight: 518.6455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O6S2/c1-15(2)5-10-22(28)26-16-6-8-18-19-14-17(7-9-20(19)33-21(18)13-16)35(31,32)27-11-12-34-25(3,4)23(27)24(29)30/h6-9,13-15,23H,5,10-12H2,1-4H3,(H,26,28)(H,29,30)