3-[4-[butan-2-yl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[butan-2-yl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[ethyl(sec-butyl)sulfamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[butan-2-yl(ethyl)sulfamoyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[butan-2-yl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[ethyl(sec-butyl)sulfamoyl]pyrazol-1-yl]propionic acid Formula: C12H21N3O4S MolecularWeight: 303.37784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC)S(=O)(=O)C1=CN(N=C1)CCC(=O)O

Isomeric SMILES

CCC(C)N(CC)S(=O)(=O)C1=CN(N=C1)CCC(=O)O

InChI

InChI=1S/C12H21N3O4S/c1-4-10(3)15(5-2)20(18,19)11-8-13-14(9-11)7-6-12(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)