(4-nitrophenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (4-nitrobenzyl) ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O6S/c22-19(27-14-15-6-8-17(9-7-15)21(23)24)16-10-12-20(13-11-16)28(25,26)18-4-2-1-3-5-18/h1-9,16H,10-14H2