3-[3,5-dimethyl-4-[[2-(methylamino)-2-oxidanylidene-ethyl]sulfamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3,5-dimethyl-4-[[2-(methylamino)-2-oxidanylidene-ethyl]sulfamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3,5-dimethyl-4-[[2-(methylamino)-2-oxo-ethyl]sulfamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3,5-dimethyl-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3,5-dimethyl-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[[2-keto-2-(methylamino)ethyl]sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]propionic acid Formula: C11H18N4O5S MolecularWeight: 318.34942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)O)C)S(=O)(=O)NCC(=O)NC

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)O)C)S(=O)(=O)NCC(=O)NC

InChI

InChI=1S/C11H18N4O5S/c1-7-11(21(19,20)13-6-9(16)12-3)8(2)15(14-7)5-4-10(17)18/h13H,4-6H2,1-3H3,(H,12,16)(H,17,18)