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

Systemtic Name: methyl 1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxylate Openeye Name: methyl 1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitro-4-piperidinosulfonyl-phenyl)isonipecotic acid methyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6S/c1-27-18(22)14-7-11-19(12-8-14)16-6-5-15(13-17(16)21(23)24)28(25,26)20-9-3-2-4-10-20/h5-6,13-14H,2-4,7-12H2,1H3