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

Systemtic Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-oxidanylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-hydroxyphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolidinyl)-4-(4-hydroxyphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-hydroxyphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(2,5-dimethylpyrrolidino)-4-(4-hydroxyphenoxy)-5-sulfamoyl-benzoic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-11-3-4-12(2)21(11)16-9-13(19(23)24)10-17(28(20,25)26)18(16)27-15-7-5-14(22)6-8-15/h5-12,22H,3-4H2,1-2H3,(H,23,24)(H2,20,25,26)