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

Systemtic Name: 3-[(2-methyl-3-phenylmethoxycarbonyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(3-benzyloxycarbonyl-2-methyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[(2-methyl-3-phenylmethoxycarbonyl-5-benzo[g]benzofuranyl)sulfamoyl]benzoic acid IUPAC Name: 3-[(2-methyl-3-phenylmethoxycarbonylbenzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(3-carbobenzoxy-2-methyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C28H21NO7S MolecularWeight: 515.53384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H21NO7S/c1-17-25(28(32)35-16-18-8-3-2-4-9-18)23-15-24(21-12-5-6-13-22(21)26(23)36-17)29-37(33,34)20-11-7-10-19(14-20)27(30)31/h2-15,29H,16H2,1H3,(H,30,31)