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

Systemtic Name: tert-butyl (E)-5-[[(2S)-1-bromanylpropan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate Openeye Name: tert-butyl (E)-5-[[(1S)-2-bromo-1-methyl-ethyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (E)-5-[[(2S)-1-bromopropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-5-[[(2S)-1-bromopropan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (E)-5-[[(1S)-2-bromo-1-methyl-ethyl]-tosyl-amino]pent-2-enoic acid tert-butyl ester Formula: C19H28BrNO4S MolecularWeight: 446.39892

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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(C)CBr

Isomeric SMILES

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

InChI

InChI=1S/C19H28BrNO4S/c1-15-9-11-17(12-10-15)26(23,24)21(16(2)14-20)13-7-6-8-18(22)25-19(3,4)5/h6,8-12,16H,7,13-14H2,1-5H3/b8-6+/t16-/m0/s1