4-(2,4-dimethylphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(2,4-dimethylphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-(2,4-dimethylphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-(2,4-dimethylphenoxy)-3-(3-methyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(2,4-dimethylphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-(2,4-dimethylphenoxy)-3-(3-methylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=C(C=C(C=C3)C)C

Isomeric SMILES

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C20H24N2O5S/c1-12-4-5-17(14(3)8-12)27-19-16(22-7-6-13(2)11-22)9-15(20(23)24)10-18(19)28(21,25)26/h4-5,8-10,13H,6-7,11H2,1-3H3,(H,23,24)(H2,21,25,26)