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

Systemtic Name: 1-methyl-4-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]pyrrole-2-carboxylate Openeye Name: 4-[(2-isopropyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1-methyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-2-pyrrolecarboxylate IUPAC Name: 1-methyl-4-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]pyrrole-2-carboxylate Traditional Name: 4-[(2-isopropyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-1-methyl-pyrrole-2-carboxylate Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4S/c1-8(2)16-11(4-5-13-16)14-21(19,20)9-6-10(12(17)18)15(3)7-9/h4-8H,1-3H3,(H2,13,14,17,18)