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

Systemtic Name: 5-[(3-heptoxycarbonyl-2-methyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-heptoxycarbonyl-2-methyl-benzo[g]benzofuran-5-yl)sulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[[3-[heptoxy(oxo)methyl]-2-methyl-5-benzo[g]benzofuranyl]sulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[(3-heptoxycarbonyl-2-methylbenzo[g][1]benzofuran-5-yl)sulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[(3-heptoxycarbonyl-2-methyl-benzo[g]benzofuran-5-yl)sulfamoyl]-2-hydroxy-benzoic acid Formula: C28H29NO8S MolecularWeight: 539.59676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=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

CCCCCCCOC(=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/C28H29NO8S/c1-3-4-5-6-9-14-36-28(33)25-17(2)37-26-20-11-8-7-10-19(20)23(16-22(25)26)29-38(34,35)18-12-13-24(30)21(15-18)27(31)32/h7-8,10-13,15-16,29-30H,3-6,9,14H2,1-2H3,(H,31,32)