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

Systemtic Name: 4-[7-(butanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[7-(butanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[7-(1-oxobutylamino)-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[7-(butanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-(7-butyramidodibenzofuran-2-yl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C23H26N2O6S2 MolecularWeight: 490.59234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S2/c1-4-5-20(26)24-14-6-8-16-17-13-15(7-9-18(17)31-19(16)12-14)33(29,30)25-10-11-32-23(2,3)21(25)22(27)28/h6-9,12-13,21H,4-5,10-11H2,1-3H3,(H,24,26)(H,27,28)