tert-butyl (E)-5-[[(2S)-1-bromanyl-3,3-dimethyl-butan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate

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

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H34BrNO4S/c1-17-11-13-18(14-12-17)29(26,27)24(19(16-23)21(2,3)4)15-9-8-10-20(25)28-22(5,6)7/h8,10-14,19H,9,15-16H2,1-7H3/b10-8+/t19-/m1/s1