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

Systemtic Name: ethyl 1-[2-[(2-bromophenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-bromo-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(2-bromo-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-bromo-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-bromo-N-mesyl-anilino)acetyl]isonipecotic acid ethyl ester Formula: C17H23BrN2O5S MolecularWeight: 447.34392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC=CC=C2Br)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC=CC=C2Br)S(=O)(=O)C

InChI

InChI=1S/C17H23BrN2O5S/c1-3-25-17(22)13-8-10-19(11-9-13)16(21)12-20(26(2,23)24)15-7-5-4-6-14(15)18/h4-7,13H,3,8-12H2,1-2H3