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

Systemtic Name: methyl (E)-5-[(4-methylphenyl)sulfonyl-[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]pent-2-enoate Openeye Name: methyl (E)-5-[[(1S)-2-hydroxy-1-phenyl-ethyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (E)-5-[[(1S)-2-hydroxy-1-phenylethyl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-[[(1S)-2-hydroxy-1-phenylethyl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (E)-5-[[(1S)-2-hydroxy-1-phenyl-ethyl]-tosyl-amino]pent-2-enoic acid methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-17-11-13-19(14-12-17)28(25,26)22(15-7-6-10-21(24)27-2)20(16-23)18-8-4-3-5-9-18/h3-6,8-14,20,23H,7,15-16H2,1-2H3/b10-6+/t20-/m1/s1