[(2S)-5-(hydroxymethyl)-2-phenyl-3-propan-2-yl-1,3-oxazolidin-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-5-(hydroxymethyl)-2-phenyl-3-propan-2-yl-1,3-oxazolidin-2-yl] 4-methylbenzenesulfonate Openeye Name: [(2S)-5-(hydroxymethyl)-3-isopropyl-2-phenyl-oxazolidin-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-5-(hydroxymethyl)-2-phenyl-3-propan-2-yl-2-oxazolidinyl] ester IUPAC Name: [(2S)-5-(hydroxymethyl)-2-phenyl-3-propan-2-yl-1,3-oxazolidin-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-3-isopropyl-5-methylol-2-phenyl-oxazolidin-2-yl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2(N(CC(O2)CO)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@]2(N(CC(O2)CO)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H25NO5S/c1-15(2)21-13-18(14-22)25-20(21,17-7-5-4-6-8-17)26-27(23,24)19-11-9-16(3)10-12-19/h4-12,15,18,22H,13-14H2,1-3H3/t18?,20-/m0/s1