[1-imidazol-1-yl-4-[4-(trifluoromethyl)phenyl]butan-2-yl] methanesulfonate

Systemtic Name: [1-imidazol-1-yl-4-[4-(trifluoromethyl)phenyl]butan-2-yl] methanesulfonate Openeye Name: [1-(imidazol-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propyl] methanesulfonate CAS Name: methanesulfonic acid [1-(1-imidazolyl)-4-[4-(trifluoromethyl)phenyl]butan-2-yl] ester IUPAC Name: [1-imidazol-1-yl-4-[4-(trifluoromethyl)phenyl]butan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-(imidazol-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propyl] ester Formula: C15H17F3N2O3S MolecularWeight: 362.36729

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCC1=CC=C(C=C1)C(F)(F)F)CN2C=CN=C2

Isomeric SMILES

CS(=O)(=O)OC(CCC1=CC=C(C=C1)C(F)(F)F)CN2C=CN=C2

InChI

InChI=1S/C15H17F3N2O3S/c1-24(21,22)23-14(10-20-9-8-19-11-20)7-4-12-2-5-13(6-3-12)15(16,17)18/h2-3,5-6,8-9,11,14H,4,7,10H2,1H3