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

Systemtic Name: 3-[(2-methyl-3-pentoxycarbonyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(2-methyl-3-pentoxycarbonyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[[2-methyl-3-[oxo(pentoxy)methyl]-5-benzo[g]benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(2-methyl-3-pentoxycarbonylbenzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(3-amoxycarbonyl-2-methyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C26H25NO7S MolecularWeight: 495.5442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO7S/c1-3-4-7-13-33-26(30)23-16(2)34-24-20-12-6-5-11-19(20)22(15-21(23)24)27-35(31,32)18-10-8-9-17(14-18)25(28)29/h5-6,8-12,14-15,27H,3-4,7,13H2,1-2H3,(H,28,29)