[4-[5-[4-methylsulfonyl-2-(oxidanylcarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl] methanesulfonate

Systemtic Name: [4-[5-[4-methylsulfonyl-2-(oxidanylcarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl] methanesulfonate Openeye Name: [4-[5-[2-(hydroxycarbamoyl)-4-methylsulfonyl-piperazin-1-yl]sulfonyl-2-thienyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[5-[[2-[(hydroxyamino)-oxomethyl]-4-methylsulfonyl-1-piperazinyl]sulfonyl]-2-thiophenyl]phenyl] ester IUPAC Name: [4-[5-[2-(hydroxycarbamoyl)-4-methylsulfonylpiperazin-1-yl]sulfonylthiophen-2-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[5-[2-(hydroxycarbamoyl)-4-mesyl-piperazino]sulfonyl-2-thienyl]phenyl] ester Formula: C17H21N3O9S4 MolecularWeight: 539.62334

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(S2)C3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(S2)C3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C17H21N3O9S4/c1-31(23,24)19-9-10-20(14(11-19)17(21)18-22)33(27,28)16-8-7-15(30-16)12-3-5-13(6-4-12)29-32(2,25)26/h3-8,14,22H,9-11H2,1-2H3,(H,18,21)