methyl 1-[2-[(4-tert-butylphenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-tert-butylphenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-tert-butyl-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-tert-butyl-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-tert-butyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-tert-butyl-N-mesyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-20(2,3)16-6-8-17(9-7-16)22(28(5,25)26)14-18(23)21-12-10-15(11-13-21)19(24)27-4/h6-9,15H,10-14H2,1-5H3