4-(4-dibenzofuran-1-ylphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-(4-dibenzofuran-1-ylphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-(4-dibenzofuran-1-ylphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(1-dibenzofuranyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(4-dibenzofuran-1-ylphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-(4-dibenzofuran-1-ylphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C25H23NO5S2 MolecularWeight: 481.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=C4C5=CC=CC=C5OC4=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=C4C5=CC=CC=C5OC4=CC=C3)C(=O)O)C

InChI

InChI=1S/C25H23NO5S2/c1-25(2)23(24(27)28)26(14-15-32-25)33(29,30)17-12-10-16(11-13-17)18-7-5-9-21-22(18)19-6-3-4-8-20(19)31-21/h3-13,23H,14-15H2,1-2H3,(H,27,28)