ethyl 4-[2-[(4-fluorophenyl)-methylsulfonyl-amino]butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)-methylsulfonyl-amino]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-fluoro-N-methylsulfonyl-anilino)butanoyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-fluoro-N-methylsulfonylanilino)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-fluoro-N-methylsulfonylanilino)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-fluoro-N-mesyl-anilino)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H26FN3O5S MolecularWeight: 415.479543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C(=O)OCC)N(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C(=O)OCC)N(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C18H26FN3O5S/c1-4-16(22(28(3,25)26)15-8-6-14(19)7-9-15)17(23)20-10-12-21(13-11-20)18(24)27-5-2/h6-9,16H,4-5,10-13H2,1-3H3