methyl (E)-5-[(4-methylphenyl)sulfonyl-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]pent-2-enoate

Systemtic Name: methyl (E)-5-[(4-methylphenyl)sulfonyl-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]pent-2-enoate Openeye Name: methyl (E)-5-[[(1S)-1-benzyl-2-hydroxy-ethyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (E)-5-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (E)-5-[[(1S)-1-benzyl-2-hydroxy-ethyl]-tosyl-amino]pent-2-enoic acid methyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC=CC(=O)OC)C(CC2=CC=CC=C2)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC/C=C/C(=O)OC)[C@@H](CC2=CC=CC=C2)CO

InChI

InChI=1S/C22H27NO5S/c1-18-11-13-21(14-12-18)29(26,27)23(15-7-6-10-22(25)28-2)20(17-24)16-19-8-4-3-5-9-19/h3-6,8-14,20,24H,7,15-17H2,1-2H3/b10-6+/t20-/m0/s1