3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-methoxyphenoxy)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-methoxyphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-methoxyphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolidinyl)-4-(4-methoxyphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-methoxyphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(2,5-dimethylpyrrolidino)-4-(4-methoxyphenoxy)-5-sulfamoyl-benzoic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H24N2O6S/c1-12-4-5-13(2)22(12)17-10-14(20(23)24)11-18(29(21,25)26)19(17)28-16-8-6-15(27-3)7-9-16/h6-13H,4-5H2,1-3H3,(H,23,24)(H2,21,25,26)