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

Systemtic Name: 3-[(3-ethoxycarbonyl-2-phenyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(3-ethoxycarbonyl-2-phenyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[(3-ethoxycarbonyl-2-phenyl-5-benzo[g]benzofuranyl)sulfamoyl]benzoic acid IUPAC Name: 3-[(3-ethoxycarbonyl-2-phenylbenzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(3-carbethoxy-2-phenyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C28H21NO7S MolecularWeight: 515.53384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C28H21NO7S/c1-2-35-28(32)24-22-16-23(29-37(33,34)19-12-8-11-18(15-19)27(30)31)20-13-6-7-14-21(20)26(22)36-25(24)17-9-4-3-5-10-17/h3-16,29H,2H2,1H3,(H,30,31)