tert-butyl (E)-5-[[(1S)-2-bromanyl-1-phenyl-ethyl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate

Systemtic Name: tert-butyl (E)-5-[[(1S)-2-bromanyl-1-phenyl-ethyl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate Openeye Name: tert-butyl (E)-5-[[(1S)-2-bromo-1-phenyl-ethyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (E)-5-[[(1S)-2-bromo-1-phenylethyl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-5-[[(1S)-2-bromo-1-phenylethyl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (E)-5-[[(1S)-2-bromo-1-phenyl-ethyl]-tosyl-amino]pent-2-enoic acid tert-butyl ester Formula: C24H30BrNO4S MolecularWeight: 508.4683

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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(CBr)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrNO4S/c1-19-13-15-21(16-14-19)31(28,29)26(22(18-25)20-10-6-5-7-11-20)17-9-8-12-23(27)30-24(2,3)4/h5-8,10-16,22H,9,17-18H2,1-4H3/b12-8+/t22-/m1/s1