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

Systemtic Name: 4-[7-[(3,4-dimethoxyphenyl)carbonylamino]dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[7-[(3,4-dimethoxybenzoyl)amino]dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[[7-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-2-dibenzofuranyl]sulfonyl]-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[7-[(3,4-dimethoxybenzoyl)amino]dibenzofuran-2-yl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[7-(veratroylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C28H28N2O8S2 MolecularWeight: 584.66052

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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)C5=CC(=C(C=C5)OC)OC)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(=C(C=C5)OC)OC)C(=O)O)C

InChI

InChI=1S/C28H28N2O8S2/c1-28(2)25(27(32)33)30(11-12-39-28)40(34,35)18-7-10-21-20(15-18)19-8-6-17(14-23(19)38-21)29-26(31)16-5-9-22(36-3)24(13-16)37-4/h5-10,13-15,25H,11-12H2,1-4H3,(H,29,31)(H,32,33)