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

Systemtic Name: [(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3S,5R)-5-(4-benzamido-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S,5R)-5-(4-benzamido-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S,5R)-5-(4-benzamido-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C23H23N3O7S MolecularWeight: 485.50962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(CC(O2)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C23H23N3O7S/c1-15-7-9-17(10-8-15)34(30,31)32-14-19-18(27)13-21(33-19)26-12-11-20(25-23(26)29)24-22(28)16-5-3-2-4-6-16/h2-12,18-19,21,27H,13-14H2,1H3,(H,24,25,28,29)/t18-,19+,21+/m0/s1