5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylic acid

Systemtic Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylic acid Openeye Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid CAS Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid IUPAC Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid Traditional Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC3=C(C4=CC=CC=C42)OC(=C3C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC3=C(C4=CC=CC=C42)OC(=C3C(=O)O)C

InChI

InChI=1S/C22H19NO5S/c1-12-8-9-13(2)19(10-12)29(26,27)23-18-11-17-20(22(24)25)14(3)28-21(17)16-7-5-4-6-15(16)18/h4-11,23H,1-3H3,(H,24,25)