[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate CAS Name: 3-(1-tetrazolyl)-2-thiophenecarboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate Traditional Name: 3-(tetrazol-1-yl)thiophene-2-carboxylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C13H16N6O5S2 MolecularWeight: 400.43334

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C=CS2)N3C=NN=N3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C=CS2)N3C=NN=N3

InChI

InChI=1S/C13H16N6O5S2/c1-26(22,23)18-5-3-17(4-6-18)11(20)8-24-13(21)12-10(2-7-25-12)19-9-14-15-16-19/h2,7,9H,3-6,8H2,1H3