2-[4-(heptan-2-ylsulfamoyl)pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(heptan-2-ylsulfamoyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(1-methylhexylsulfamoyl)pyrazol-1-yl]acetic acid CAS Name: 2-[4-(heptan-2-ylsulfamoyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-(heptan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[4-(1-methylhexylsulfamoyl)pyrazol-1-yl]acetic acid Formula: C12H21N3O4S MolecularWeight: 303.37784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O4S/c1-3-4-5-6-10(2)14-20(18,19)11-7-13-15(8-11)9-12(16)17/h7-8,10,14H,3-6,9H2,1-2H3,(H,16,17)