ethyl (2S,3S)-4-iodanyl-3-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-butanoate

Systemtic Name: ethyl (2S,3S)-4-iodanyl-3-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-butanoate Openeye Name: ethyl (2S,3S)-2-hydroxy-4-iodo-3-(p-tolylsulfonylamino)butanoate CAS Name: (2S,3S)-2-hydroxy-4-iodo-3-[(4-methylphenyl)sulfonylamino]butanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-2-hydroxy-4-iodo-3-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S,3S)-2-hydroxy-4-iodo-3-(tosylamino)butyric acid ethyl ester Formula: C13H18INO5S MolecularWeight: 427.25519

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CI)NS(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](CI)NS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C13H18INO5S/c1-3-20-13(17)12(16)11(8-14)15-21(18,19)10-6-4-9(2)5-7-10/h4-7,11-12,15-16H,3,8H2,1-2H3/t11-,12+/m1/s1