4-[7-[(3,5-dinitrophenyl)carbonylamino]dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[7-[(3,5-dinitrophenyl)carbonylamino]dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[7-[(3,5-dinitrobenzoyl)amino]dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[[7-[[(3,5-dinitrophenyl)-oxomethyl]amino]-2-dibenzofuranyl]sulfonyl]-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[7-[(3,5-dinitrobenzoyl)amino]dibenzofuran-2-yl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[7-[(3,5-dinitrobenzoyl)amino]dibenzofuran-2-yl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C26H22N4O10S2 MolecularWeight: 614.60368

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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(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])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(=C5)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C26H22N4O10S2/c1-26(2)23(25(32)33)28(7-8-41-26)42(38,39)18-4-6-21-20(13-18)19-5-3-15(11-22(19)40-21)27-24(31)14-9-16(29(34)35)12-17(10-14)30(36)37/h3-6,9-13,23H,7-8H2,1-2H3,(H,27,31)(H,32,33)