5-[(4-ethylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylic acid

Systemtic Name: 5-[(4-ethylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylic acid Openeye Name: 5-[(4-ethylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid CAS Name: 5-[(4-ethylphenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid IUPAC Name: 5-[(4-ethylphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid Traditional Name: 5-[(4-ethylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid Formula: C22H19NO5S MolecularWeight: 409.45496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C4=CC=CC=C42)OC(=C3C(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C4=CC=CC=C42)OC(=C3C(=O)O)C

InChI

InChI=1S/C22H19NO5S/c1-3-14-8-10-15(11-9-14)29(26,27)23-19-12-18-20(22(24)25)13(2)28-21(18)17-7-5-4-6-16(17)19/h4-12,23H,3H2,1-2H3,(H,24,25)