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

Systemtic Name: (2-nitrophenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-nitrophenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (2-nitrobenzyl) ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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