[(4R,5S)-3-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(4R,5S)-3-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(4R,5S)-3-methyl-2-oxo-5-phenyl-oxazolidin-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4R,5S)-3-methyl-2-oxo-5-phenyl-4-oxazolidinyl]methyl ester IUPAC Name: [(4R,5S)-3-methyl-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4R,5S)-2-keto-3-methyl-5-phenyl-oxazolidin-4-yl]methyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(OC(=O)N2C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H](OC(=O)N2C)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO5S/c1-13-8-10-15(11-9-13)25(21,22)23-12-16-17(24-18(20)19(16)2)14-6-4-3-5-7-14/h3-11,16-17H,12H2,1-2H3/t16-,17+/m1/s1