3-[4-[[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]sulfamoyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[[2-(dimethylamino)-2-keto-1-methyl-ethyl]sulfamoyl]pyrazol-1-yl]propionic acid Formula: C11H18N4O5S MolecularWeight: 318.34942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N4O5S/c1-8(11(18)14(2)3)13-21(19,20)9-6-12-15(7-9)5-4-10(16)17/h6-8,13H,4-5H2,1-3H3,(H,16,17)