4-[(3-cyanophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(3-cyanophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(3-cyanophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(3-cyanophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(3-cyanophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(3-cyanobenzyl)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(=C1)CNS(=O)(=O)C2=CNC(=C2)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNS(=O)(=O)C2=CNC(=C2)C(=O)O)C#N

InChI

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