methyl 1-[2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2,4,6-trimethyl-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-2,4,6-trimethyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C)C

InChI

InChI=1S/C19H28N2O5S/c1-13-10-14(2)18(15(3)11-13)21(27(5,24)25)12-17(22)20-8-6-16(7-9-20)19(23)26-4/h10-11,16H,6-9,12H2,1-5H3