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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C13H16N2O6S/c1-22(20,21)12-8-10(15(18)19)2-3-11(12)14-6-4-9(5-7-14)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)/p-1