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

Systemtic Name: tert-butyl (Z)-5-[[(2S)-1-bromanyl-3-methyl-butan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate Openeye Name: tert-butyl (Z)-5-[[(1S)-1-(bromomethyl)-2-methyl-propyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (Z)-5-[[(2S)-1-bromo-3-methylbutan-2-yl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z)-5-[[(2S)-1-bromo-3-methylbutan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (Z)-5-[[(1S)-1-(bromomethyl)-2-methyl-propyl]-tosyl-amino]pent-2-enoic acid tert-butyl ester Formula: C21H32BrNO4S MolecularWeight: 474.45208

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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

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

InChI

InChI=1S/C21H32BrNO4S/c1-16(2)19(15-22)23(14-8-7-9-20(24)27-21(4,5)6)28(25,26)18-12-10-17(3)11-13-18/h7,9-13,16,19H,8,14-15H2,1-6H3/b9-7-/t19-/m1/s1