tert-butyl (Z)-5-[[(2S)-1-bromanyl-3-phenyl-propan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate

Systemtic Name: tert-butyl (Z)-5-[[(2S)-1-bromanyl-3-phenyl-propan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate Openeye Name: tert-butyl (Z)-5-[[(1S)-1-benzyl-2-bromo-ethyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (Z)-5-[[(2S)-1-bromo-3-phenylpropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z)-5-[[(2S)-1-bromo-3-phenylpropan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (Z)-5-[[(1S)-1-benzyl-2-bromo-ethyl]-tosyl-amino]pent-2-enoic acid tert-butyl ester Formula: C25H32BrNO4S MolecularWeight: 522.49488

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(CC2=CC=CC=C2)CBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC/C=C\C(=O)OC(C)(C)C)[C@@H](CC2=CC=CC=C2)CBr

InChI

InChI=1S/C25H32BrNO4S/c1-20-13-15-23(16-14-20)32(29,30)27(17-9-8-12-24(28)31-25(2,3)4)22(19-26)18-21-10-6-5-7-11-21/h5-8,10-16,22H,9,17-19H2,1-4H3/b12-8-/t22-/m0/s1