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

Systemtic Name: 3-[(2-methyl-3-octoxycarbonyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(2-methyl-3-octoxycarbonyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[[2-methyl-3-[octoxy(oxo)methyl]-5-benzo[g]benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(2-methyl-3-octoxycarbonylbenzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(2-methyl-3-octoxycarbonyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C29H31NO7S MolecularWeight: 537.62394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO7S/c1-3-4-5-6-7-10-16-36-29(33)26-19(2)37-27-23-15-9-8-14-22(23)25(18-24(26)27)30-38(34,35)21-13-11-12-20(17-21)28(31)32/h8-9,11-15,17-18,30H,3-7,10,16H2,1-2H3,(H,31,32)