[(4S,5S)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(4S,5S)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(4S,5S)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydrooxazol-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4S,5S)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydrooxazol-4-yl]methyl ester IUPAC Name: [(4S,5S)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4S,5S)-5-(4-mesylphenyl)-2-phenyl-2-oxazolin-4-yl]methyl ester Formula: C24H23NO6S2 MolecularWeight: 485.57252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(OC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@@H](OC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H23NO6S2/c1-17-8-12-21(13-9-17)33(28,29)30-16-22-23(18-10-14-20(15-11-18)32(2,26)27)31-24(25-22)19-6-4-3-5-7-19/h3-15,22-23H,16H2,1-2H3/t22-,23-/m0/s1