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

Systemtic Name: 2,2-dimethyl-4-[7-(3-phenylpropanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[7-(3-phenylpropanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[7-[(1-oxo-3-phenylpropyl)amino]-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[7-(3-phenylpropanoylamino)dibenzofuran-2-yl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 4-[7-(hydrocinnamoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C28H28N2O6S2 MolecularWeight: 552.66172

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)NC(=O)CCC5=CC=CC=C5)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)NC(=O)CCC5=CC=CC=C5)C(=O)O)C

InChI

InChI=1S/C28H28N2O6S2/c1-28(2)26(27(32)33)30(14-15-37-28)38(34,35)20-10-12-23-22(17-20)21-11-9-19(16-24(21)36-23)29-25(31)13-8-18-6-4-3-5-7-18/h3-7,9-12,16-17,26H,8,13-15H2,1-2H3,(H,29,31)(H,32,33)