(2-nitrophenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (2-nitrophenyl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (2-nitrobenzyl) ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c22-18(27-13-15-4-1-2-6-17(15)21(23)24)14-7-10-20(11-8-14)28(25,26)16-5-3-9-19-12-16/h1-6,9,12,14H,7-8,10-11,13H2