(2S)-1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-2-carboxylate

Systemtic Name: (2S)-1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-2-carboxylate Openeye Name: (2S)-1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-2-carboxylate CAS Name: (2S)-1-(4-methylsulfonyl-2-nitrophenyl)-2-piperidinecarboxylate IUPAC Name: (2S)-1-(4-methylsulfonyl-2-nitrophenyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(4-mesyl-2-nitro-phenyl)pipecolinate Formula: C13H15N2O6S- MolecularWeight: 327.333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6S/c1-22(20,21)9-5-6-10(12(8-9)15(18)19)14-7-3-2-4-11(14)13(16)17/h5-6,8,11H,2-4,7H2,1H3,(H,16,17)/p-1/t11-/m0/s1