[(1R,2S)-2-[methyl-(4-methylphenyl)sulfonyl-amino]-1-phenyl-propyl] (E)-3-phenylprop-2-enoate

Systemtic Name: [(1R,2S)-2-[methyl-(4-methylphenyl)sulfonyl-amino]-1-phenyl-propyl] (E)-3-phenylprop-2-enoate Openeye Name: [(1R,2S)-2-[methyl(p-tolylsulfonyl)amino]-1-phenyl-propyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [(1R,2S)-2-[methyl-(4-methylphenyl)sulfonylamino]-1-phenylpropyl] ester IUPAC Name: [(1R,2S)-2-[methyl-(4-methylphenyl)sulfonylamino]-1-phenylpropyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(1R,2S)-2-[methyl(tosyl)amino]-1-phenyl-propyl] ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(C)C(C2=CC=CC=C2)OC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)[C@@H](C)[C@@H](C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H27NO4S/c1-20-14-17-24(18-15-20)32(29,30)27(3)21(2)26(23-12-8-5-9-13-23)31-25(28)19-16-22-10-6-4-7-11-22/h4-19,21,26H,1-3H3/b19-16+/t21-,26-/m0/s1