(3S)-1-(4-ethylsulfonyl-2-nitro-phenyl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(4-ethylsulfonyl-2-nitro-phenyl)piperidine-3-carboxylate Openeye Name: (3S)-1-(4-ethylsulfonyl-2-nitro-phenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(4-ethylsulfonyl-2-nitrophenyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(4-ethylsulfonyl-2-nitrophenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-esyl-2-nitro-phenyl)nipecotate Formula: C14H17N2O6S- MolecularWeight: 341.35958

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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)N2CCC[C@@H](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)/p-1/t10-/m0/s1