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

Systemtic Name: 2,2-dimethyl-4-[7-(2-phenylethanoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[7-[(2-phenylacetyl)amino]dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[7-[(1-oxo-2-phenylethyl)amino]-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[7-[(2-phenylacetyl)amino]dibenzofuran-2-yl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[7-[(2-phenylacetyl)amino]dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C27H26N2O6S2 MolecularWeight: 538.63514

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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)CC5=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)CC5=CC=CC=C5)C(=O)O)C

InChI

InChI=1S/C27H26N2O6S2/c1-27(2)25(26(31)32)29(12-13-36-27)37(33,34)19-9-11-22-21(16-19)20-10-8-18(15-23(20)35-22)28-24(30)14-17-6-4-3-5-7-17/h3-11,15-16,25H,12-14H2,1-2H3,(H,28,30)(H,31,32)