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

Systemtic Name: 4-[7-(2,2-diphenylethanoylamino)dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[7-[(2,2-diphenylacetyl)amino]dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[7-[(1-oxo-2,2-diphenylethyl)amino]-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[7-[(2,2-diphenylacetyl)amino]dibenzofuran-2-yl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[7-[(2,2-diphenylacetyl)amino]dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C33H30N2O6S2 MolecularWeight: 614.7311

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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)C(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O)C

InChI

InChI=1S/C33H30N2O6S2/c1-33(2)30(32(37)38)35(17-18-42-33)43(39,40)24-14-16-27-26(20-24)25-15-13-23(19-28(25)41-27)34-31(36)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19-20,29-30H,17-18H2,1-2H3,(H,34,36)(H,37,38)