4-(heptan-2-ylsulfamoyl)-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(heptan-2-ylsulfamoyl)-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-(1-methylhexylsulfamoyl)pyrrole-2-carboxylic acid CAS Name: 4-(heptan-2-ylsulfamoyl)-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(heptan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-(1-methylhexylsulfamoyl)pyrrole-2-carboxylic acid Formula: C13H22N2O4S MolecularWeight: 302.38978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NS(=O)(=O)C1=CN(C(=C1)C(=O)O)C

Isomeric SMILES

CCCCCC(C)NS(=O)(=O)C1=CN(C(=C1)C(=O)O)C

InChI

InChI=1S/C13H22N2O4S/c1-4-5-6-7-10(2)14-20(18,19)11-8-12(13(16)17)15(3)9-11/h8-10,14H,4-7H2,1-3H3,(H,16,17)