4-methoxy-3-[(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 4-methoxy-3-[(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 4-methoxy-3-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-methoxy-3-[[2-methyl-6-[oxo(1-pyrrolidinyl)methyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-methoxy-3-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC)C(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O6S/c1-13-6-5-7-15(19(23)22-10-3-4-11-22)18(13)21-29(26,27)17-12-14(20(24)25)8-9-16(17)28-2/h5-9,12,21H,3-4,10-11H2,1-2H3,(H,24,25)