4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid Formula: C13H11N3O4S MolecularWeight: 305.30914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NS(=O)(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)NS(=O)(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C13H11N3O4S/c14-6-5-9-1-3-10(4-2-9)16-21(19,20)11-7-12(13(17)18)15-8-11/h1-4,7-8,15-16H,5H2,(H,17,18)