(4-nitrophenyl)methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (4-nitrobenzyl) ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6S/c1-2-24(21,22)16-9-7-13(8-10-16)15(18)23-11-12-3-5-14(6-4-12)17(19)20/h3-6,13H,2,7-11H2,1H3