(2-methoxy-5-nitro-phenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (2-methoxy-5-nitro-benzyl) ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H21N3O7S/c1-28-18-5-4-16(22(24)25)11-15(18)13-29-19(23)14-6-9-21(10-7-14)30(26,27)17-3-2-8-20-12-17/h2-5,8,11-12,14H,6-7,9-10,13H2,1H3