4-(4-methylsulfonylpiperazin-1-yl)benzoic acid

Systemtic Name: 4-(4-methylsulfonylpiperazin-1-yl)benzoic acid Openeye Name: 4-(4-methylsulfonylpiperazin-1-yl)benzoic acid CAS Name: 4-(4-methylsulfonyl-1-piperazinyl)benzoic acid IUPAC Name: 4-(4-methylsulfonylpiperazin-1-yl)benzoic acid Traditional Name: 4-(4-mesylpiperazino)benzoic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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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)