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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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