ethyl 1-[2-[(4-chlorophenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-chlorophenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-chloro-N-methylsulfonyl-anilino)butanoyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-chloro-N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chloro-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-chloro-N-mesyl-anilino)butanoyl]isonipecotic acid ethyl ester Formula: C19H27ClN2O5S MolecularWeight: 430.94608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC(CC1)C(=O)OCC)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)N1CCC(CC1)C(=O)OCC)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H27ClN2O5S/c1-4-17(22(28(3,25)26)16-8-6-15(20)7-9-16)18(23)21-12-10-14(11-13-21)19(24)27-5-2/h6-9,14,17H,4-5,10-13H2,1-3H3