3-methylsulfonyl-4-piperazin-1-yl-benzoic acid

Systemtic Name: 3-methylsulfonyl-4-piperazin-1-yl-benzoic acid Openeye Name: 3-methylsulfonyl-4-piperazin-1-yl-benzoic acid CAS Name: 3-methylsulfonyl-4-(1-piperazinyl)benzoic acid IUPAC Name: 3-methylsulfonyl-4-piperazin-1-ylbenzoic acid Traditional Name: 3-mesyl-4-piperazino-benzoic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCNCC2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCNCC2

InChI

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