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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28BrNO4S/c1-15(2)13-17(14-20)21(12-6-5-7-19(22)25-4)26(23,24)18-10-8-16(3)9-11-18/h5,7-11,15,17H,6,12-14H2,1-4H3/b7-5+/t17-/m0/s1