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

Systemtic Name: 3-[(3-heptoxycarbonyl-2-methyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(3-heptoxycarbonyl-2-methyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[[3-[heptoxy(oxo)methyl]-2-methyl-5-benzo[g]benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(3-heptoxycarbonyl-2-methylbenzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(3-heptoxycarbonyl-2-methyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C28H29NO7S MolecularWeight: 523.59736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO7S/c1-3-4-5-6-9-15-35-28(32)25-18(2)36-26-22-14-8-7-13-21(22)24(17-23(25)26)29-37(33,34)20-12-10-11-19(16-20)27(30)31/h7-8,10-14,16-17,29H,3-6,9,15H2,1-2H3,(H,30,31)