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

Systemtic Name: tert-butyl (E)-5-[(4-methylphenyl)sulfonyl-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]pent-2-enoate Openeye Name: tert-butyl (E)-5-[[(1S)-1-benzyl-2-hydroxy-ethyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (E)-5-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-5-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (E)-5-[[(1S)-1-benzyl-2-hydroxy-ethyl]-tosyl-amino]pent-2-enoic acid tert-butyl ester Formula: C25H33NO5S MolecularWeight: 459.59822

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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)CO

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)CO

InChI

InChI=1S/C25H33NO5S/c1-20-13-15-23(16-14-20)32(29,30)26(17-9-8-12-24(28)31-25(2,3)4)22(19-27)18-21-10-6-5-7-11-21/h5-8,10-16,22,27H,9,17-19H2,1-4H3/b12-8+/t22-/m0/s1