3-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: 3-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzoate Openeye Name: 3-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methylsulfonyl-1-piperazinyl)sulfonyl]benzoate IUPAC Name: 3-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-mesylpiperazino)sulfonylbenzoate Formula: C12H15N2O6S2- MolecularWeight: 347.3873

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H16N2O6S2/c1-21(17,18)13-5-7-14(8-6-13)22(19,20)11-4-2-3-10(9-11)12(15)16/h2-4,9H,5-8H2,1H3,(H,15,16)/p-1