methyl 1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(4-chloro-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chloro-3-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonylisonipecotic acid methyl ester Formula: C13H15ClN2O6S MolecularWeight: 362.786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClN2O6S/c1-22-13(17)9-4-6-15(7-5-9)23(20,21)10-2-3-11(14)12(8-10)16(18)19/h2-3,8-9H,4-7H2,1H3