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

Systemtic Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolidinyl)-4-(4-methylphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-methylphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(2,5-dimethylpyrrolidino)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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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)C)C

Isomeric SMILES

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

InChI

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