4-[(2-bromanyl-4-methyl-phenyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(2-bromanyl-4-methyl-phenyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[(2-bromo-4-methyl-phenyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[(2-bromo-4-methylphenyl)sulfamoyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[(2-bromo-4-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[(2-bromo-4-methyl-phenyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid Formula: C13H13BrN2O4S MolecularWeight: 373.22232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CN(C(=C2)C(=O)O)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CN(C(=C2)C(=O)O)C)Br

InChI

InChI=1S/C13H13BrN2O4S/c1-8-3-4-11(10(14)5-8)15-21(19,20)9-6-12(13(17)18)16(2)7-9/h3-7,15H,1-2H3,(H,17,18)