1-(4-ethylsulfonyl-2-nitro-phenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)piperidine-3-carboxylic acid Openeye Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)piperidine-3-carboxylic acid CAS Name: 1-(4-ethylsulfonyl-2-nitrophenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(4-ethylsulfonyl-2-nitrophenyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-esyl-2-nitro-phenyl)nipecotic acid Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6S/c1-2-23(21,22)11-5-6-12(13(8-11)16(19)20)15-7-3-4-10(9-15)14(17)18/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18)