3-(1,3-benzodioxol-5-ylsulfonylamino)-5-(2-hydroxyethyloxy)-4-(2-methoxyphenoxy)benzoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylsulfonylamino)-5-(2-hydroxyethyloxy)-4-(2-methoxyphenoxy)benzoic acid Openeye Name: 3-(1,3-benzodioxol-5-ylsulfonylamino)-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)benzoic acid CAS Name: 3-(1,3-benzodioxol-5-ylsulfonylamino)-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)benzoic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylsulfonylamino)-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)benzoic acid Traditional Name: 3-(1,3-benzodioxol-5-ylsulfonylamino)-5-(2-hydroxyethoxy)-4-(2-methoxyphenoxy)benzoic acid Formula: C23H21NO10S MolecularWeight: 503.47854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=C(C=C(C=C2OCCO)C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1OC2=C(C=C(C=C2OCCO)C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21NO10S/c1-30-17-4-2-3-5-19(17)34-22-16(10-14(23(26)27)11-21(22)31-9-8-25)24-35(28,29)15-6-7-18-20(12-15)33-13-32-18/h2-7,10-12,24-25H,8-9,13H2,1H3,(H,26,27)