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

Systemtic Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-fluoranylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-fluorophenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolidinyl)-4-(4-fluorophenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-fluorophenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(2,5-dimethylpyrrolidino)-4-(4-fluorophenoxy)-5-sulfamoyl-benzoic acid Formula: C19H21FN2O5S MolecularWeight: 408.443843

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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)F)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2O5S/c1-11-3-4-12(2)22(11)16-9-13(19(23)24)10-17(28(21,25)26)18(16)27-15-7-5-14(20)6-8-15/h5-12H,3-4H2,1-2H3,(H,23,24)(H2,21,25,26)