ethyl 1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitro-4-piperidinosulfonyl-phenyl)isonipecotic acid ethyl ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O6S/c1-2-28-19(23)15-8-12-20(13-9-15)17-7-6-16(14-18(17)22(24)25)29(26,27)21-10-4-3-5-11-21/h6-7,14-15H,2-5,8-13H2,1H3