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

Systemtic Name: 3-[(3-butoxycarbonyl-2-methyl-benzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(3-butoxycarbonyl-2-methyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[[3-[butoxy(oxo)methyl]-2-methyl-5-benzo[g]benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(3-butoxycarbonyl-2-methylbenzo[g][1]benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(3-butoxycarbonyl-2-methyl-benzo[g]benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C25H23NO7S MolecularWeight: 481.51762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO7S/c1-3-4-12-32-25(29)22-15(2)33-23-19-11-6-5-10-18(19)21(14-20(22)23)26-34(30,31)17-9-7-8-16(13-17)24(27)28/h5-11,13-14,26H,3-4,12H2,1-2H3,(H,27,28)