(2-chloranyl-4-nitro-phenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-cyanophenyl)sulfonylisonipecotic acid (2-chloro-4-nitro-phenyl) ester Formula: C19H16ClN3O6S MolecularWeight: 449.86484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H16ClN3O6S/c20-16-11-15(23(25)26)5-6-17(16)29-19(24)13-7-9-22(10-8-13)30(27,28)18-4-2-1-3-14(18)12-21/h1-6,11,13H,7-10H2