4-(4-methylphenoxy)-3-sulfamoyl-5-(2,3,5-trimethylpyrrolidin-1-yl)benzoic acid

Systemtic Name: 4-(4-methylphenoxy)-3-sulfamoyl-5-(2,3,5-trimethylpyrrolidin-1-yl)benzoic acid Openeye Name: 4-(4-methylphenoxy)-3-sulfamoyl-5-(2,3,5-trimethylpyrrolidin-1-yl)benzoic acid CAS Name: 4-(4-methylphenoxy)-3-sulfamoyl-5-(2,3,5-trimethyl-1-pyrrolidinyl)benzoic acid IUPAC Name: 4-(4-methylphenoxy)-3-sulfamoyl-5-(2,3,5-trimethylpyrrolidin-1-yl)benzoic acid Traditional Name: 4-(4-methylphenoxy)-3-sulfamoyl-5-(2,3,5-trimethylpyrrolidino)benzoic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1C)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)C)C

Isomeric SMILES

CC1CC(N(C1C)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H26N2O5S/c1-12-5-7-17(8-6-12)28-20-18(23-14(3)9-13(2)15(23)4)10-16(21(24)25)11-19(20)29(22,26)27/h5-8,10-11,13-15H,9H2,1-4H3,(H,24,25)(H2,22,26,27)