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

Systemtic Name: methyl (E)-5-[[(2S,3S)-1-bromanyl-3-methyl-pentan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate Openeye Name: methyl (E)-5-[[(1S,2S)-1-(bromomethyl)-2-methyl-butyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (E)-5-[[(2S,3S)-1-bromo-3-methylpentan-2-yl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-[[(2S,3S)-1-bromo-3-methylpentan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (E)-5-[[(1S,2S)-1-(bromomethyl)-2-methyl-butyl]-tosyl-amino]pent-2-enoic acid methyl ester Formula: C19H28BrNO4S MolecularWeight: 446.39892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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