3-[1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrazol-4-yl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrazol-4-yl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[1-(p-tolylsulfonyl)-3-(trifluoromethyl)pyrazol-4-yl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-4-pyrazolyl]propyl ester IUPAC Name: 3-[1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrazol-4-yl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[1-tosyl-3-(trifluoromethyl)pyrazol-4-yl]propyl ester Formula: C21H21F3N2O5S2 MolecularWeight: 502.52705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=N2)C(F)(F)F)CCCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=N2)C(F)(F)F)CCCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21F3N2O5S2/c1-15-5-9-18(10-6-15)32(27,28)26-14-17(20(25-26)21(22,23)24)4-3-13-31-33(29,30)19-11-7-16(2)8-12-19/h5-12,14H,3-4,13H2,1-2H3