4-[(2,4-dimethyl-3-oxidanyl-phenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(2,4-dimethyl-3-oxidanyl-phenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(3-hydroxy-2,4-dimethyl-phenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(3-hydroxy-2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(3-hydroxy-2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(3-hydroxy-2,4-dimethyl-phenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)NS(=O)(=O)C2=CNC(=C2)C(=O)O)C)O

Isomeric SMILES

CC1=C(C(=C(C=C1)NS(=O)(=O)C2=CNC(=C2)C(=O)O)C)O

InChI

InChI=1S/C13H14N2O5S/c1-7-3-4-10(8(2)12(7)16)15-21(19,20)9-5-11(13(17)18)14-6-9/h3-6,14-16H,1-2H3,(H,17,18)