methyl 5-[(2S,3R,4S)-4-(methylsulfonylamino)-3-methylsulfonyloxy-thiolan-2-yl]pentanoate

Systemtic Name: methyl 5-[(2S,3R,4S)-4-(methylsulfonylamino)-3-methylsulfonyloxy-thiolan-2-yl]pentanoate Openeye Name: methyl 5-[(2S,3R,4S)-4-(methanesulfonamido)-3-methylsulfonyloxy-tetrahydrothiophen-2-yl]pentanoate CAS Name: 5-[(2S,3R,4S)-4-(methanesulfonamido)-3-methylsulfonyloxy-2-thiolanyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[(2S,3R,4S)-4-(methanesulfonamido)-3-methylsulfonyloxythiolan-2-yl]pentanoate Traditional Name: 5-[(2S,3R,4S)-4-(methanesulfonamido)-3-methylsulfonyloxy-tetrahydrothiophen-2-yl]valeric acid methyl ester Formula: C12H23NO7S3 MolecularWeight: 389.50852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1C(C(CS1)NS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

COC(=O)CCCC[C@H]1[C@@H]([C@@H](CS1)NS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C12H23NO7S3/c1-19-11(14)7-5-4-6-10-12(20-23(3,17)18)9(8-21-10)13-22(2,15)16/h9-10,12-13H,4-8H2,1-3H3/t9-,10+,12-/m1/s1