5-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]thiophene-3-carboxylate

Systemtic Name: 5-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]thiophene-3-carboxylate Openeye Name: 5-[(2-isopropyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]thiophene-3-carboxylate CAS Name: 5-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-3-thiophenecarboxylate IUPAC Name: 5-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]thiophene-3-carboxylate Traditional Name: 5-[(2-isopropyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-3-thenoate Formula: C11H13N3O4S2 MolecularWeight: 315.36862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(C=CN1)NS(=O)(=O)C2=CC(=CS2)C(=O)[O-]

Isomeric SMILES

CC(C)[N+]1=C(C=CN1)NS(=O)(=O)C2=CC(=CS2)C(=O)[O-]

InChI

InChI=1S/C11H13N3O4S2/c1-7(2)14-9(3-4-12-14)13-20(17,18)10-5-8(6-19-10)11(15)16/h3-7H,1-2H3,(H2,12,13,15,16)