2-[4-[bis(cyanomethyl)sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-[bis(cyanomethyl)sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-[bis(cyanomethyl)sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]acetic acid CAS Name: 2-[4-[bis(cyanomethyl)sulfamoyl]-3,5-dimethyl-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[bis(cyanomethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid Traditional Name: 2-[4-[bis(cyanomethyl)sulfamoyl]-3,5-dimethyl-pyrazol-1-yl]acetic acid Formula: C11H13N5O4S MolecularWeight: 311.31702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)N(CC#N)CC#N

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O)C)S(=O)(=O)N(CC#N)CC#N

InChI

InChI=1S/C11H13N5O4S/c1-8-11(9(2)16(14-8)7-10(17)18)21(19,20)15(5-3-12)6-4-13/h5-7H2,1-2H3,(H,17,18)