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

Systemtic Name: 2-[(5R)-5-[(3-methylphenoxy)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]propyl 4-methylbenzenesulfonate Openeye Name: 2-[(5R)-5-[(3-methylphenoxy)methyl]-2-oxo-oxazolidin-3-yl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(5R)-5-[(3-methylphenoxy)methyl]-2-oxo-3-oxazolidinyl]propyl ester IUPAC Name: 2-[(5R)-5-[(3-methylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(5R)-2-keto-5-[(3-methylphenoxy)methyl]oxazolidin-3-yl]propyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)N2CC(OC2=O)COC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)N2C[C@@H](OC2=O)COC3=CC=CC(=C3)C

InChI

InChI=1S/C21H25NO6S/c1-15-7-9-20(10-8-15)29(24,25)27-13-17(3)22-12-19(28-21(22)23)14-26-18-6-4-5-16(2)11-18/h4-11,17,19H,12-14H2,1-3H3/t17?,19-/m1/s1