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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-12-4-5-22(11-12)17-9-15(20(23)24)10-18(28(21,25)26)19(17)27-16-7-13(2)6-14(3)8-16/h6-10,12H,4-5,11H2,1-3H3,(H,23,24)(H2,21,25,26)