[(2S,3R)-2-methyl-1-oxidanylidene-1-[(4S)-2-oxidanylidene-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-2-methyl-1-oxidanylidene-1-[(4S)-2-oxidanylidene-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-[(1S)-2-[(4S)-4-isopropyl-2-oxo-oxazolidin-3-yl]-1-methyl-2-oxo-ethyl]butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-methyl-1-oxo-1-[(4S)-2-oxo-4-propan-2-yl-3-oxazolidinyl]hexan-3-yl] ester IUPAC Name: [(2S,3R)-2-methyl-1-oxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-[(1S)-2-[(4S)-4-isopropyl-2-keto-oxazolidin-3-yl]-2-keto-1-methyl-ethyl]butyl] ester Formula: C20H29NO6S MolecularWeight: 411.51236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)C(=O)N1C(COC1=O)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC[C@H]([C@H](C)C(=O)N1[C@H](COC1=O)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H29NO6S/c1-6-7-18(27-28(24,25)16-10-8-14(4)9-11-16)15(5)19(22)21-17(13(2)3)12-26-20(21)23/h8-11,13,15,17-18H,6-7,12H2,1-5H3/t15-,17+,18+/m0/s1