ethyl 1-[5-(2-azanyl-4-ethylsulfonyl-phenoxy)-2-nitro-phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-(2-azanyl-4-ethylsulfonyl-phenoxy)-2-nitro-phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-(2-amino-4-ethylsulfonyl-phenoxy)-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[5-(2-amino-4-ethylsulfonylphenoxy)-2-nitrophenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2-amino-4-ethylsulfonylphenoxy)-2-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[5-(2-amino-4-esyl-phenoxy)-2-nitro-phenyl]isonipecotic acid ethyl ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)CC)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)CC)N)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7S/c1-3-31-22(26)15-9-11-24(12-10-15)20-13-16(5-7-19(20)25(27)28)32-21-8-6-17(14-18(21)23)33(29,30)4-2/h5-8,13-15H,3-4,9-12,23H2,1-2H3