3-(2-ethyl-5-methyl-pyrrolidin-1-yl)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(2-ethyl-5-methyl-pyrrolidin-1-yl)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(2-ethyl-5-methyl-pyrrolidin-1-yl)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(2-ethyl-5-methyl-1-pyrrolidinyl)-4-(4-methylphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(2-ethyl-5-methylpyrrolidin-1-yl)-4-(4-methylphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(2-ethyl-5-methyl-pyrrolidino)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)C)C

Isomeric SMILES

CCC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)C)C

InChI

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