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

Systemtic Name: ethyl 1-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(N-methylsulfonyl-3-nitro-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(N-methylsulfonyl-3-nitroanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(N-methylsulfonyl-3-nitroanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-3-nitro-anilino)acetyl]isonipecotic acid ethyl ester Formula: C17H23N3O7S MolecularWeight: 413.44542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O7S/c1-3-27-17(22)13-7-9-18(10-8-13)16(21)12-19(28(2,25)26)14-5-4-6-15(11-14)20(23)24/h4-6,11,13H,3,7-10,12H2,1-2H3