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

Systemtic Name: 2,2-dimethyl-4-[7-[(3-nitrophenyl)carbonylamino]dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[7-[(3-nitrobenzoyl)amino]dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[7-[[(3-nitrophenyl)-oxomethyl]amino]-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[7-[(3-nitrobenzoyl)amino]dibenzofuran-2-yl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[7-[(3-nitrobenzoyl)amino]dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C26H23N3O8S2 MolecularWeight: 569.60612

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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-])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-])C(=O)O)C

InChI

InChI=1S/C26H23N3O8S2/c1-26(2)23(25(31)32)28(10-11-38-26)39(35,36)18-7-9-21-20(14-18)19-8-6-16(13-22(19)37-21)27-24(30)15-4-3-5-17(12-15)29(33)34/h3-9,12-14,23H,10-11H2,1-2H3,(H,27,30)(H,31,32)