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

Systemtic Name: 4-[7-[(2-bromophenyl)carbonylamino]dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[7-[(2-bromobenzoyl)amino]dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[[7-[[(2-bromophenyl)-oxomethyl]amino]-2-dibenzofuranyl]sulfonyl]-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[7-[(2-bromobenzoyl)amino]dibenzofuran-2-yl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[7-[(2-bromobenzoyl)amino]dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C26H23BrN2O6S2 MolecularWeight: 603.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)NC(=O)C5=CC=CC=C5Br)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)NC(=O)C5=CC=CC=C5Br)C(=O)O)C

InChI

InChI=1S/C26H23BrN2O6S2/c1-26(2)23(25(31)32)29(11-12-36-26)37(33,34)16-8-10-21-19(14-16)17-9-7-15(13-22(17)35-21)28-24(30)18-5-3-4-6-20(18)27/h3-10,13-14,23H,11-12H2,1-2H3,(H,28,30)(H,31,32)