3-[2-(4-methylphenyl)-5-(trifluoromethyl)-1,3-oxazol-4-yl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[2-(4-methylphenyl)-5-(trifluoromethyl)-1,3-oxazol-4-yl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[2-(p-tolyl)-5-(trifluoromethyl)oxazol-4-yl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[2-(4-methylphenyl)-5-(trifluoromethyl)-4-oxazolyl]propyl ester IUPAC Name: 3-[2-(4-methylphenyl)-5-(trifluoromethyl)-1,3-oxazol-4-yl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[2-(p-tolyl)-5-(trifluoromethyl)oxazol-4-yl]propyl ester Formula: C21H20F3NO4S MolecularWeight: 439.44801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)C(F)(F)F)CCCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)C(F)(F)F)CCCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H20F3NO4S/c1-14-5-9-16(10-6-14)20-25-18(19(29-20)21(22,23)24)4-3-13-28-30(26,27)17-11-7-15(2)8-12-17/h5-12H,3-4,13H2,1-2H3