3-[(2-tert-butyl-3-methoxycarbonyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid

Systemtic Name: 3-[(2-tert-butyl-3-methoxycarbonyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(2-tert-butyl-3-methoxycarbonyl-benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[(2-tert-butyl-3-methoxycarbonyl-5-benzofuranyl)sulfamoyl]benzoic acid IUPAC Name: 3-[(2-tert-butyl-3-methoxycarbonyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(2-tert-butyl-3-carbomethoxy-benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C21H21NO7S MolecularWeight: 431.45894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C(=O)OC

InChI

InChI=1S/C21H21NO7S/c1-21(2,3)18-17(20(25)28-4)15-11-13(8-9-16(15)29-18)22-30(26,27)14-7-5-6-12(10-14)19(23)24/h5-11,22H,1-4H3,(H,23,24)