5-[(2-methyl-3-pentoxycarbonyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(2-methyl-3-pentoxycarbonyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(2-methyl-3-pentoxycarbonyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 2-hydroxy-5-[[2-methyl-3-[oxo(pentoxy)methyl]-5-benzo[g]benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 2-hydroxy-5-[(2-methyl-3-pentoxycarbonylbenzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 5-[(3-amoxycarbonyl-2-methyl-benzo[g]benzofuran-5-yl)sulfamoyl]-2-hydroxy-benzoic acid Formula: C26H25NO8S MolecularWeight: 511.5436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O)C

Isomeric SMILES

CCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O)C

InChI

InChI=1S/C26H25NO8S/c1-3-4-7-12-34-26(31)23-15(2)35-24-18-9-6-5-8-17(18)21(14-20(23)24)27-36(32,33)16-10-11-22(28)19(13-16)25(29)30/h5-6,8-11,13-14,27-28H,3-4,7,12H2,1-2H3,(H,29,30)