tert-butyl (E)-5-[[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate

Systemtic Name: tert-butyl (E)-5-[[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate Openeye Name: tert-butyl (E)-5-[[(1S)-1-(hydroxymethyl)-3-methyl-butyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (E)-5-[[(2S)-1-hydroxy-4-methylpentan-2-yl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-5-[[(2S)-1-hydroxy-4-methylpentan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (E)-5-[[(1S)-3-methyl-1-methylol-butyl]-tosyl-amino]pent-2-enoic acid tert-butyl ester Formula: C22H35NO5S MolecularWeight: 425.582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC=CC(=O)OC(C)(C)C)C(CC(C)C)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC/C=C/C(=O)OC(C)(C)C)[C@@H](CC(C)C)CO

InChI

InChI=1S/C22H35NO5S/c1-17(2)15-19(16-24)23(14-8-7-9-21(25)28-22(4,5)6)29(26,27)20-12-10-18(3)11-13-20/h7,9-13,17,19,24H,8,14-16H2,1-6H3/b9-7+/t19-/m0/s1