2-[5-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]thiophen-2-yl]ethanoate

Systemtic Name: 2-[5-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]thiophen-2-yl]ethanoate Openeye Name: 2-[5-[(2-isopropyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-2-thienyl]acetate CAS Name: 2-[5-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-2-thiophenyl]acetate IUPAC Name: 2-[5-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)sulfamoyl]thiophen-2-yl]acetate Traditional Name: 2-[5-[(2-isopropyl-1H-pyrazol-2-ium-3-yl)sulfamoyl]-2-thienyl]acetate Formula: C12H15N3O4S2 MolecularWeight: 329.3952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(C=CN1)NS(=O)(=O)C2=CC=C(S2)CC(=O)[O-]

Isomeric SMILES

CC(C)[N+]1=C(C=CN1)NS(=O)(=O)C2=CC=C(S2)CC(=O)[O-]

InChI

InChI=1S/C12H15N3O4S2/c1-8(2)15-10(5-6-13-15)14-21(18,19)12-4-3-9(20-12)7-11(16)17/h3-6,8H,7H2,1-2H3,(H2,13,14,16,17)