(2S)-1-(4-methylsulfonylphenyl)piperidine-2-carboxylate

Systemtic Name: (2S)-1-(4-methylsulfonylphenyl)piperidine-2-carboxylate Openeye Name: (2S)-1-(4-methylsulfonylphenyl)piperidine-2-carboxylate CAS Name: (2S)-1-(4-methylsulfonylphenyl)-2-piperidinecarboxylate IUPAC Name: (2S)-1-(4-methylsulfonylphenyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(4-mesylphenyl)pipecolinate Formula: C13H16NO4S- MolecularWeight: 282.33544

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2CCCCC2C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C13H17NO4S/c1-19(17,18)11-7-5-10(6-8-11)14-9-3-2-4-12(14)13(15)16/h5-8,12H,2-4,9H2,1H3,(H,15,16)/p-1/t12-/m0/s1