[(2S,3R,5S)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-3-methylsulfonyloxy-oxolan-2-yl]methyl methanesulfonate

Systemtic Name: [(2S,3R,5S)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-3-methylsulfonyloxy-oxolan-2-yl]methyl methanesulfonate Openeye Name: [(2S,3R,5S)-5-(4-benzamido-2-oxo-pyrimidin-1-yl)-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [(2S,3R,5S)-5-(4-benzamido-2-oxo-1-pyrimidinyl)-3-methylsulfonyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2S,3R,5S)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [(2S,3R,5S)-5-(4-benzamido-2-keto-pyrimidin-1-yl)-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H21N3O9S2 MolecularWeight: 487.50404

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1C(CC(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OC[C@H]1[C@@H](C[C@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C18H21N3O9S2/c1-31(24,25)28-11-14-13(30-32(2,26)27)10-16(29-14)21-9-8-15(20-18(21)23)19-17(22)12-6-4-3-5-7-12/h3-9,13-14,16H,10-11H2,1-2H3,(H,19,20,22,23)/t13-,14+,16+/m1/s1