1-(2-methylsulfonyl-4-nitro-phenyl)piperidine-2-carboxylic acid

Systemtic Name: 1-(2-methylsulfonyl-4-nitro-phenyl)piperidine-2-carboxylic acid Openeye Name: 1-(2-methylsulfonyl-4-nitro-phenyl)piperidine-2-carboxylic acid CAS Name: 1-(2-methylsulfonyl-4-nitrophenyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(2-methylsulfonyl-4-nitrophenyl)piperidine-2-carboxylic acid Traditional Name: 1-(2-mesyl-4-nitro-phenyl)pipecolinic acid Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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