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

Systemtic Name: methyl (E)-5-[[(2S)-1-bromanyl-3,3-dimethyl-butan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl 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(CBr)C(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)C

InChI

InChI=1S/C19H28BrNO4S/c1-15-9-11-16(12-10-15)26(23,24)21(17(14-20)19(2,3)4)13-7-6-8-18(22)25-5/h6,8-12,17H,7,13-14H2,1-5H3/b8-6+/t17-/m1/s1