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

Systemtic Name: 3-[(3-ethoxycarbonyl-2-methyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(3-ethoxycarbonyl-2-methyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[(3-ethoxycarbonyl-2-methyl-5-benzo[g]benzofuranyl)sulfamoyl]benzoic acid IUPAC Name: 3-[(3-ethoxycarbonyl-2-methylbenzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(3-carbethoxy-2-methyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C23H19NO7S MolecularWeight: 453.46446

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO7S/c1-3-30-23(27)20-13(2)31-21-17-10-5-4-9-16(17)19(12-18(20)21)24-32(28,29)15-8-6-7-14(11-15)22(25)26/h4-12,24H,3H2,1-2H3,(H,25,26)