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

Systemtic Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate Openeye Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate CAS Name: 1-(4-ethylsulfonyl-2-nitrophenyl)-4-piperidinecarboxylate IUPAC Name: 1-(4-ethylsulfonyl-2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(4-esyl-2-nitro-phenyl)isonipecotate Formula: C14H17N2O6S- MolecularWeight: 341.35958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6S/c1-2-23(21,22)11-3-4-12(13(9-11)16(19)20)15-7-5-10(6-8-15)14(17)18/h3-4,9-10H,2,5-8H2,1H3,(H,17,18)/p-1