5-[(3-cyanophenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: 5-[(3-cyanophenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: 5-[(3-cyanophenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[(3-cyanophenyl)sulfonylamino]-1-methyl-4-pyrazolecarboxylate IUPAC Name: 5-[(3-cyanophenyl)sulfonylamino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[(3-cyanophenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylate Formula: C12H9N4O4S- MolecularWeight: 305.28926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CN1C(=C(C=N1)C(=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H10N4O4S/c1-16-11(10(7-14-16)12(17)18)15-21(19,20)9-4-2-3-8(5-9)6-13/h2-5,7,15H,1H3,(H,17,18)/p-1