4-[(2,6-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(2,6-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(2,6-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(2,6-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(2,6-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(2,6-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c1-8-4-3-5-9(2)12(8)15-20(18,19)10-6-11(13(16)17)14-7-10/h3-7,14-15H,1-2H3,(H,16,17)