4-[(2,5-dimethyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: 4-[(2,5-dimethyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylate Openeye Name: 4-[(2,5-dimethyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylate CAS Name: 4-[(2,5-dimethyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylate IUPAC Name: 4-[(2,5-dimethyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[(2,5-dimethyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylate Formula: C10H12N4O4S MolecularWeight: 284.29168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C)NS(=O)(=O)C2=CNC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=[N+](N1)C)NS(=O)(=O)C2=CNC(=C2)C(=O)[O-]

InChI

InChI=1S/C10H12N4O4S/c1-6-3-9(14(2)12-6)13-19(17,18)7-4-8(10(15)16)11-5-7/h3-5,11H,1-2H3,(H2,12,13,15,16)