ethyl 1-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-2-methyl-5-nitro-anilino)acetyl]isonipecotic acid ethyl ester Formula: C18H25N3O7S MolecularWeight: 427.472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O7S/c1-4-28-18(23)14-7-9-19(10-8-14)17(22)12-20(29(3,26)27)16-11-15(21(24)25)6-5-13(16)2/h5-6,11,14H,4,7-10,12H2,1-3H3