2-[(2-ethoxycarbonyl-3-methyl-1-benzofuran-5-yl)sulfonyl-methyl-amino]benzoic acid

Systemtic Name: 2-[(2-ethoxycarbonyl-3-methyl-1-benzofuran-5-yl)sulfonyl-methyl-amino]benzoic acid Openeye Name: 2-[(2-ethoxycarbonyl-3-methyl-benzofuran-5-yl)sulfonyl-methyl-amino]benzoic acid CAS Name: 2-[(2-ethoxycarbonyl-3-methyl-5-benzofuranyl)sulfonyl-methylamino]benzoic acid IUPAC Name: 2-[(2-ethoxycarbonyl-3-methyl-1-benzofuran-5-yl)sulfonyl-methylamino]benzoic acid Traditional Name: 2-[(2-carbethoxy-3-methyl-benzofuran-5-yl)sulfonyl-methyl-amino]benzoic acid Formula: C20H19NO7S MolecularWeight: 417.43236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N(C)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N(C)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C20H19NO7S/c1-4-27-20(24)18-12(2)15-11-13(9-10-17(15)28-18)29(25,26)21(3)16-8-6-5-7-14(16)19(22)23/h5-11H,4H2,1-3H3,(H,22,23)