4-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(2-isopropyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(2-isopropyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Formula: C11H15N4O4S+ MolecularWeight: 299.3262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(C=CN1)NS(=O)(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

CC(C)[N+]1=C(C=CN1)NS(=O)(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C11H14N4O4S/c1-7(2)15-10(3-4-13-15)14-20(18,19)8-5-9(11(16)17)12-6-8/h3-7,12H,1-2H3,(H2,13,14,16,17)/p+1