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

Systemtic Name: methyl (E)-5-[[(2S)-1-bromanyl-3-methyl-butan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate Openeye Name: methyl (E)-5-[[(1S)-1-(bromomethyl)-2-methyl-propyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (E)-5-[[(2S)-1-bromo-3-methylbutan-2-yl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-[[(2S)-1-bromo-3-methylbutan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (E)-5-[[(1S)-1-(bromomethyl)-2-methyl-propyl]-tosyl-amino]pent-2-enoic acid methyl ester Formula: C18H26BrNO4S MolecularWeight: 432.37234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC=CC(=O)OC)C(CBr)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrNO4S/c1-14(2)17(13-19)20(12-6-5-7-18(21)24-4)25(22,23)16-10-8-15(3)9-11-16/h5,7-11,14,17H,6,12-13H2,1-4H3/b7-5+/t17-/m1/s1