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

Systemtic Name: tert-butyl (E)-5-[[(2S)-1-bromanyl-4-methyl-pentan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate Openeye Name: tert-butyl (E)-5-[[(1S)-1-(bromomethyl)-3-methyl-butyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (E)-5-[[(2S)-1-bromo-4-methylpentan-2-yl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-5-[[(2S)-1-bromo-4-methylpentan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (E)-5-[[(1S)-1-(bromomethyl)-3-methyl-butyl]-tosyl-amino]pent-2-enoic acid tert-butyl ester Formula: C22H34BrNO4S MolecularWeight: 488.47866

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)CBr

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)CBr

InChI

InChI=1S/C22H34BrNO4S/c1-17(2)15-19(16-23)24(14-8-7-9-21(25)28-22(4,5)6)29(26,27)20-12-10-18(3)11-13-20/h7,9-13,17,19H,8,14-16H2,1-6H3/b9-7+/t19-/m0/s1