5-(azepan-1-ylsulfonylamino)-1-methyl-pyrazole-4-carboxylate

Systemtic Name: 5-(azepan-1-ylsulfonylamino)-1-methyl-pyrazole-4-carboxylate Openeye Name: 5-(azepan-1-ylsulfonylamino)-1-methyl-pyrazole-4-carboxylate CAS Name: 5-(1-azepanylsulfonylamino)-1-methyl-4-pyrazolecarboxylate IUPAC Name: 5-(azepan-1-ylsulfonylamino)-1-methylpyrazole-4-carboxylate Traditional Name: 5-(azepan-1-ylsulfonylamino)-1-methyl-pyrazole-4-carboxylate Formula: C11H17N4O4S- MolecularWeight: 301.34208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)[O-])NS(=O)(=O)N2CCCCCC2

Isomeric SMILES

CN1C(=C(C=N1)C(=O)[O-])NS(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C11H18N4O4S/c1-14-10(9(8-12-14)11(16)17)13-20(18,19)15-6-4-2-3-5-7-15/h8,13H,2-7H2,1H3,(H,16,17)/p-1