1-methyl-3-(4-methylsulfonylpiperazin-1-yl)carbonyl-pyrazole-4-carboxylate

Systemtic Name: 1-methyl-3-(4-methylsulfonylpiperazin-1-yl)carbonyl-pyrazole-4-carboxylate Openeye Name: 1-methyl-3-(4-methylsulfonylpiperazine-1-carbonyl)pyrazole-4-carboxylate CAS Name: 1-methyl-3-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-3-(4-methylsulfonylpiperazine-1-carbonyl)pyrazole-4-carboxylate Traditional Name: 3-(4-mesylpiperazine-1-carbonyl)-1-methyl-pyrazole-4-carboxylate Formula: C11H15N4O5S- MolecularWeight: 315.3256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C)C(=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C)C(=O)[O-]

InChI

InChI=1S/C11H16N4O5S/c1-13-7-8(11(17)18)9(12-13)10(16)14-3-5-15(6-4-14)21(2,19)20/h7H,3-6H2,1-2H3,(H,17,18)/p-1