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

Systemtic Name: 1-methyl-4-[(3-methylsulfanylphenyl)sulfamoyl]pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-[(3-methylsulfanylphenyl)sulfamoyl]pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-[[3-(methylthio)phenyl]sulfamoyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-[(3-methylsulfanylphenyl)sulfamoyl]pyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-[[3-(methylthio)phenyl]sulfamoyl]pyrrole-2-carboxylic acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)S(=O)(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CN1C=C(C=C1C(=O)O)S(=O)(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C13H14N2O4S2/c1-15-8-11(7-12(15)13(16)17)21(18,19)14-9-4-3-5-10(6-9)20-2/h3-8,14H,1-2H3,(H,16,17)