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

Systemtic Name: 2,2-dimethyl-3-[7-(2-phenoxyethanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-3-[7-[(2-phenoxyacetyl)amino]dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-3-[[7-[(1-oxo-2-phenoxyethyl)amino]-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-3-[7-[(2-phenoxyacetyl)amino]dibenzofuran-2-yl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-3-[7-[(2-phenoxyacetyl)amino]dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C27H26N2O7S2 MolecularWeight: 554.63454

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NCCS1)(C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)NC(=O)COC5=CC=CC=C5)C

Isomeric SMILES

CC1(C(NCCS1)(C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)NC(=O)COC5=CC=CC=C5)C

InChI

InChI=1S/C27H26N2O7S2/c1-26(2)27(25(31)32,28-12-13-37-26)38(33,34)19-9-11-22-21(15-19)20-10-8-17(14-23(20)36-22)29-24(30)16-35-18-6-4-3-5-7-18/h3-11,14-15,28H,12-13,16H2,1-2H3,(H,29,30)(H,31,32)