4-(4-methylsulfonylpiperazin-1-yl)benzoate

Systemtic Name: 4-(4-methylsulfonylpiperazin-1-yl)benzoate Openeye Name: 4-(4-methylsulfonylpiperazin-1-yl)benzoate CAS Name: 4-(4-methylsulfonyl-1-piperazinyl)benzoate IUPAC Name: 4-(4-methylsulfonylpiperazin-1-yl)benzoate Traditional Name: 4-(4-mesylpiperazino)benzoate Formula: C12H15N2O4S- MolecularWeight: 283.3235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4S/c1-19(17,18)14-8-6-13(7-9-14)11-4-2-10(3-5-11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16)/p-1