3-[(3-ethoxycarbonyl-2-propyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid

Systemtic Name: 3-[(3-ethoxycarbonyl-2-propyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(3-ethoxycarbonyl-2-propyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[(3-ethoxycarbonyl-2-propyl-5-benzo[g]benzofuranyl)sulfamoyl]benzoic acid IUPAC Name: 3-[(3-ethoxycarbonyl-2-propylbenzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(3-carbethoxy-2-propyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C25H23NO7S MolecularWeight: 481.51762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O)C(=O)OCC

Isomeric SMILES

CCCC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O)C(=O)OCC

InChI

InChI=1S/C25H23NO7S/c1-3-8-21-22(25(29)32-4-2)19-14-20(17-11-5-6-12-18(17)23(19)33-21)26-34(30,31)16-10-7-9-15(13-16)24(27)28/h5-7,9-14,26H,3-4,8H2,1-2H3,(H,27,28)