4-[bis(2-cyanoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Formula: C11H12N4O4S MolecularWeight: 296.30238

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=C1S(=O)(=O)N(CCC#N)CCC#N)C(=O)O

Isomeric SMILES

C1=C(NC=C1S(=O)(=O)N(CCC#N)CCC#N)C(=O)O

InChI

InChI=1S/C11H12N4O4S/c12-3-1-5-15(6-2-4-13)20(18,19)9-7-10(11(16)17)14-8-9/h7-8,14H,1-2,5-6H2,(H,16,17)