4-[(3-ethynylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: 4-[(3-ethynylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate Openeye Name: 4-[(3-ethynylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate CAS Name: 4-[(3-ethynylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate IUPAC Name: 4-[(3-ethynylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[(3-ethynylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate Formula: C13H9N2O4S- MolecularWeight: 289.28656

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NS(=O)(=O)C2=CNC(=C2)C(=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NS(=O)(=O)C2=CNC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H10N2O4S/c1-2-9-4-3-5-10(6-9)15-20(18,19)11-7-12(13(16)17)14-8-11/h1,3-8,14-15H,(H,16,17)/p-1