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

Systemtic Name: 3-[(3-butoxycarbonyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(3-butoxycarbonyl-2-methyl-benzofuran-5-yl)sulfamoyl]benzoic acid CAS Name: 3-[[3-[butoxy(oxo)methyl]-2-methyl-5-benzofuranyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(3-butoxycarbonyl-2-methyl-1-benzofuran-5-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(3-butoxycarbonyl-2-methyl-benzofuran-5-yl)sulfamoyl]benzoic acid Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C21H21NO7S/c1-3-4-10-28-21(25)19-13(2)29-18-9-8-15(12-17(18)19)22-30(26,27)16-7-5-6-14(11-16)20(23)24/h5-9,11-12,22H,3-4,10H2,1-2H3,(H,23,24)