4-[(3-fluorophenyl)methyl-methyl-sulfamoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(3-fluorophenyl)methyl-methyl-sulfamoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(3-fluorophenyl)methyl-methyl-sulfamoyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(3-fluorophenyl)methyl-methylsulfamoyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(3-fluorophenyl)methyl-methylsulfamoyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(3-fluorobenzyl)-methyl-sulfamoyl]-1H-pyrrole-2-carboxylic acid Formula: C13H13FN2O4S MolecularWeight: 312.316723

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)S(=O)(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)S(=O)(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C13H13FN2O4S/c1-16(8-9-3-2-4-10(14)5-9)21(19,20)11-6-12(13(17)18)15-7-11/h2-7,15H,8H2,1H3,(H,17,18)