methyl 1-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(N-methylsulfonyl-3-nitro-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(N-methylsulfonyl-3-nitroanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(N-methylsulfonyl-3-nitroanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-3-nitro-anilino)acetyl]isonipecotic acid methyl ester Formula: C16H21N3O7S MolecularWeight: 399.41884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O7S/c1-26-16(21)12-6-8-17(9-7-12)15(20)11-18(27(2,24)25)13-4-3-5-14(10-13)19(22)23/h3-5,10,12H,6-9,11H2,1-2H3