ethyl 1-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoyl]piperidine-4-carboxylate CAS Name: 1-[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-3,4-dimethyl-anilino)butanoyl]isonipecotic acid ethyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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)C)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-6-19(20(24)22-12-10-17(11-13-22)21(25)28-7-2)23(29(5,26)27)18-9-8-15(3)16(4)14-18/h8-9,14,17,19H,6-7,10-13H2,1-5H3